363-52-0|3-Fluorocatechol| Ambeed

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Structure of 3-Fluorocatechol
CAS No.: 363-52-0

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Quality Control of [ 363-52-0 ] Purity: 98% SDS Specification

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Product Details of [ 363-52-0 ]

CAS No. :	363-52-0
Formula :	C₆H₅FO₂
M.W :	128.10
SMILES Code :	C1=C(C(=C(C=C1)F)O)O
MDL No. :	MFCD00042582
InChI Key :	DXOSJQLIRGXWCF-UHFFFAOYSA-N
Pubchem ID :	67764

Safety of [ 363-52-0 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H314
Precautionary Statements:	P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Class:	8
UN#:	1759
Packing Group:	Ⅱ

Computational Chemistry of [ 363-52-0 ] Show Less

Physicochemical Properties

Num. heavy atoms	9
Num. arom. heavy atoms	6
Fraction Csp3	0.0
Num. rotatable bonds	0
Num. H-bond acceptors	3.0
Num. H-bond donors	2.0
Molar Refractivity	30.45
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	40.46 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.11
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	1.5
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.66
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	1.24
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	1.33
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.37

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.07
Solubility	1.08 mg/ml ; 0.00846 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-1.96
Solubility	1.41 mg/ml ; 0.011 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-1.49
Solubility	4.17 mg/ml ; 0.0326 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	Yes
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.02 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	1.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	1.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.05

Application In Synthesis of [ 363-52-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 363-52-0 ]

[ 363-52-0 ] Synthesis Path-Downstream 1~54

1
[ 394-64-9 ]
[ 363-52-0 ]

References: [1]Journal of Organic Chemistry,1951,vol. 16,p. 1345,1348.

2
[ 68972-94-1 ]
[ 363-52-0 ]
erythro-(+/-)-3-(3-Fluoro-2-hydroxyphenoxy)-1,4-bis(benzyloxy)butan-2-ol [ No CAS ]
erythro-(+/-)-3-(2-Fluoro-6-hydroxyphenoxy)-1,4-bis(benzyloxy)butan-2-ol [ No CAS ]

References: [1]Tetrahedron Letters,1993,vol. 34,p. 7483 - 7486.
[2]Journal of the Chemical Society. Perkin transactions I,1996,p. 2249 - 2256.

3
[ 363-52-0 ]
[ 94728-76-4 ]

References: [1]Journal of Organic Chemistry,1994,vol. 59,p. 4001 - 4003.

4
[ 363-52-0 ]
3-Fluoro-1,2-benzoquinone [ No CAS ]

References: [1]Journal of Organic Chemistry,1994,vol. 59,p. 1210 - 1212.

5
[ 73943-41-6 ]
[ 363-52-0 ]

References: [1]Journal of Chemical Research, Miniprint,1986,p. 171 - 193.

6
[ 363-52-0 ]
[ 100-44-7 ]
2,3-dibenzyloxyfluorobenzene [ No CAS ]

References: [1]Journal of Chemical Research, Miniprint,1986,p. 171 - 193.

7
[ 111-25-1 ]
[ 363-52-0 ]
1-fluoro-2,3-dihexyloxybenzene [ No CAS ]

References: [1]Journal of Materials Chemistry,1997,vol. 7,p. 601 - 605.

8
[ 363-52-0 ]
[ 350-46-9 ]
3-Fluoro-1,2-bis(4'-nitrophenoxy)benzene [ No CAS ]

References: [1]Synthesis,1998,p. 894 - 898.

9
[ 1489-53-8 ]
[ 6418-38-8 ]
[ 363-52-0 ]

References: [1]Chemosphere,1996,vol. 32,p. 893 - 906.

10
[ 1489-53-8 ]
[ 6418-38-8 ]
[ 363-52-0 ]
1,2,3-trihydroxy-4,5,6-trifluorobenzene [ No CAS ]

References: [1]Chemosphere,1996,vol. 32,p. 893 - 906.

12
[ 363-52-0 ]
[ 106-95-6 ]
1,2-bis-allyloxy-3-fluoro-benzene [ No CAS ]

References: [1]Tetrahedron Letters,2004,vol. 45,p. 2631 - 2633.

13
[ 363-52-0 ]
[ 860278-92-8 ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

14
[ 394-50-3 ]
[ 363-52-0 ]

References: [1]Tetrahedron Letters,2005,vol. 46,p. 3357 - 3358.

15
[ 1198-55-6 ]
[ 363-52-0 ]
[ 6309-30-4 ]
[ 1608-26-0 ]
tri-n-butylammonium bis[3,4,5,6-tetrachlorobenzene-1,2-diolato]mono[3-fluoro-1,2-diolato]phosphate [ No CAS ]

References: [1]Angewandte Chemie - International Edition,2005,vol. 44,p. 5060 - 5064.

16
[ 675-10-5 ]
[ 363-52-0 ]
9-fluoro-7,8-dihydroxy-3-methyl-1H-pyrano[4,3-b]benzofuran-1-one [ No CAS ]
6-fluoro-7,8-dihydroxy-3-methyl-1H-pyrano[4,3-b]benzofuran-1-one [ No CAS ]

References: [1]Synlett,2005,p. 3126 - 3130.

17
[ 86944-77-6 ]
[ 363-52-0 ]

References: [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 727 - 739.

18
[ 86944-77-6 ]
(1S,2S)-1,2-dihydroxy-3-fluorocyclohex-3-ene [ No CAS ]
[ 363-52-0 ]

References: [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 727 - 739.

19
[ 462-06-6 ]
(1S,2S)-1,2-dihydroxy-3-fluorocyclohex-3-ene [ No CAS ]
[ 363-52-0 ]

References: [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 727 - 739.

20
[ 363-52-0 ]
3-halogeno-2-methylpropene [ No CAS ]
[ 934270-07-2 ]
C₁₀H₁₁O₂F [ No CAS ]

References: [1]Heterocycles,2006,vol. 70,p. 309 - 319.

21
[ 462-06-6 ]
[ 363-52-0 ]

References: [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 727 - 739.

22
[ 367-12-4 ]
[ 363-52-0 ]

Yield	Reaction Conditions	Operation in experiment
45%		O-fluorophenol (20 g, 0.2 mol) was dissolved in acetonitrile (500 mL, dried over molecular sieves) and protected by argon. Anhydrous magnesium chloride (68 g, 0.72 mol) was added with stirring. Triethylamine (150 mL, 1.08 mol) was added and the mixture was exothermic. After stirring for 20 min, paraformaldehyde (42 g) was added and reacted at 50 ° C for 6 h. TLC showed that some of the starting material remained and the reaction time was not changed significantly. The temperature was lowered to room temperature, and a mixture of sodium hydroxide and water (22.8 g of sodium hydroxide dissolved in 80 mL of 7 jO) was added under ice-water bath. Hydrogen peroxide (30 wtpercent, 140 mL) was then slowly added dropwise with significant exotherm to keep the temperature below The reaction mixture was stirred at 30 ° C for 1.5 h, concentrated hydrochloric acid (12 mol / L) was added to adjust the pH value to 1, and the mixture was extracted with ethyl acetate (4 × 100 mL). The combined organic phases were added with saturated aqueous sodium thiosulfate (200 mL) The mixture was stirred for 1 h. The organic phase was separated and the aqueous phase was extracted with ethyl acetate (1 × 100 mL). The combined organic phases were dried over anhydrous magnesium sulfate and concentrated. The residue was purified by column chromatography (PE / EtOAc 15: 1 by volume as Eluent) to give 10.3 g of the pale yellow oily liquid (intermediate C-1a) in 45percent yield and recovery of o-fluorophenol 4.3goC-1a: 6H (300MHzeta; CDC13) 6.63-6.45 (3H, m) (D, J = 15.5Etazeta), 120.3 (d, J = 15.5Etazeta) J = 8.9Hz), 111.6 (d, J = 2.6Hz), 108.1 (d, J = 18.4Hz)
7.21 g		Under a nitrogen atmosphere, 600 mL of anhydrous tetrahydrofuran was added 16.2 mL of o-fluorophenol, 35 g of MgCl2,50 mL of triethylamine and 16.2 g of paraformaldehyde were added and heated under reflux for 4 h.Cooled to room temperature, dropping 500mL0.05mol / L NaOH solution, all the components dissolved after the drop of 72mL 30percent hydrogen peroxide, the reaction 2h; then add 72mL 30percent H2O2, stirring reaction 6h.Then add 1.0mol / L hydrochloric acid, adjust the pH 4-5, extracted with methylene chloride,The extract was washed three times with 80percent aqueous Na2S2O3 and dried over anhydrous sodium sulfate overnight.The organic solvent was distilled off under reduced pressure, and the residue was separated by silica gel column chromatography,Eluting with methylene chloride and collecting the desired fractions and evaporated to dryness under reduced pressure to give 7.21 g of a crystalline solid as white
7.5 g		Under the protection of nitrogen,Add 16 mL of o-fluorophenol to 600 mL of anhydrous tetrahydrofuran.35g MgCl2,50mL of triethylamine and 16g of paraformaldehyde,The reaction was heated to reflux for 4 h.Cool to room temperature,Add 500mL of 0.05mol/L NaOH solution dropwise.After all the components were dissolved, 72 mL of 30percent hydrogen peroxide was added dropwise.Reaction 2h;Add 70mL of 30percent H2O2,The reaction was stirred for 6 h.Then add 1.0 mol/L hydrochloric acid dropwise.Adjust the pH to 4-5,Extracted with dichloromethane,The extract was washed 3 times with an 80percent Na2S2O3 aqueous solution.It was dried over anhydrous sodium sulfate overnight.Evaporating the organic solvent under reduced pressure,The residue was separated by silica gel column chromatography.Elution with dichloromethane,Collect the required components,Evaporation to dryness under reduced pressure gave 7.5 g of white crystals.Intermediate 2.

References: [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 1429 - 1438.
[2]Patent: CN104557654,2017,B .Location in patent: Paragraph 0091-0093.
[3]Tetrahedron Letters,2005,vol. 46,p. 3357 - 3358.
[4]Tetrahedron Letters,2014,vol. 55,p. 2426 - 2429.
[5]Patent: CN102850335,2017,B .Location in patent: Paragraph 0018-0019.
[6]Patent: CN108947989,2018,A .Location in patent: Paragraph 0010; 0011; 0012.

23
[ 363-52-0 ]
[ 860278-87-1 ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

24
[ 363-52-0 ]
[ 860279-12-5 ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

25
[ 363-52-0 ]
[ 860278-97-3 ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

26
[ 363-52-0 ]
[ 860279-17-0 ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

27
[ 363-52-0 ]
C₂₈H₁₆Cl₂F₂O₅P₂ [ No CAS ]

References: [1]Russian Journal of Organic Chemistry,2004,vol. 40,p. 1798 - 1803.

28
[ 363-52-0 ]
(Z)-7-Fluoro-2,5-dihydro-benzo[b][1,4]dioxocine [ No CAS ]

References: [1]Tetrahedron Letters,2004,vol. 45,p. 2631 - 2633.

29
[ 363-52-0 ]
1,2-Bis(4'-aminophenoxy)-3-fluorobenzene [ No CAS ]

References: [1]Synthesis,1998,p. 894 - 898.

30
[ 363-52-0 ]
1-fluoro-2,3,6,7,10,11-hexahexyloxytriphenylene [ No CAS ]

References: [1]Journal of Materials Chemistry,1997,vol. 7,p. 601 - 605.

31
[ 363-52-0 ]
trans-(+/-)-2,3-Bis(benzyloxymethyl)-7-fluoro-2,3-dihydro<1,4>benzodioxine [ No CAS ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1996,p. 2249 - 2256.
[2]Tetrahedron Letters,1993,vol. 34,p. 7483 - 7486.

32
[ 363-52-0 ]
[(1S,2R)-3-Benzyloxy-1-benzyloxymethyl-2-(2-fluoro-6-hydroxy-phenoxy)-propoxymethylene]-dimethyl-ammonium; chloride [ No CAS ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1996,p. 2249 - 2256.

33
[ 456-49-5 ]
[ 363-52-0 ]

References: [1]Journal of Chemical Research, Miniprint,1986,p. 171 - 193.

34
[ 363-52-0 ]
[ 74-88-4 ]
[ 394-64-9 ]

Yield	Reaction Conditions	Operation in experiment
93%	With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 18h;	After dissolving the starting material (30 g, 0.234 mol) in dimethylformamide (400 ml), methyl iodide (32 ml, 0.515 mol) and potassium carbonate (80.7 g, 0.515 mol) were added while stirring on ice, and the stirring was continued at room temperature for 18 hours. Water (500 ml) was added and extraction was performed with diethyl ether (400 ml x 2), and then after washing the combined organic layers with brine (400 ml) and drying over anhydrous magnesium sulfate, the solvent was distilled off under reduced pressure to yield the title compound as a light yellow liquid (34 g, 93percent).1H-NMR(CDCl3)delta(ppm) 3.86(3H,s), 3.92(3H,s), 6.65-6.98(3H,m).

References: [1]Patent: EP1391451,2004,A1 .Location in patent: Page 95.
[2]Journal of labelled compounds and radiopharmaceuticals,2013,vol. 56,p. 600 - 608.
[3]Patent: WO2013/52568,2013,A1 .Location in patent: Page/Page column 122; 123.

35
[ 363-52-0 ]
[ 75-03-6 ]
[ 226555-35-7 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 0 - 20℃;	After dissolving <strong>[363-52-0]3-fluorocatechol</strong> (1200 g) in dimethylformamide (2500 ml) while cooling on ice, potassium carbonate (540 g) was added, after which ethyl iodide was gradually added. The reaction mixture was stirred at room temperature overnight, an ether-hexane solution was added, the mixture was washed with water and brine and the organic layer was dried over anhydrous magnesium sulfate. The solvent of the organic layer was distilled off under reduced pressure and then the residue was purified by silica gel column chromatography (solvent: n-hexane-ethyl acetate) to yield the title compound (269 g) as a yellow oil.1H-NMR(CDCl3)delta(ppm) 1.35(3H,t,J=7.0Hz), 1.43(3H,t,J=7.0Hz), 4.07(2H,q,J=7.0Hz), 4.12(2H,q,J=7.0Hz), 6.65-6.95(3H,m).

References: [1]Patent: EP1391451,2004,A1 .Location in patent: Page 102.

36
[ 2051-90-3 ]
[ 363-52-0 ]
[ 656804-07-8 ]

Yield	Reaction Conditions	Operation in experiment
91%	In toluene;Heating / reflux;	<strong>[363-52-0]3-Fluorocatechol</strong> (12.81 g, 100 mmol) and dichlorodiphenylmethane (23.71 g, 100 mol) were dissolved in toluene (250 ml) and heated at reflux overnight. The solvent was evaporated and the residue was chromatographied on silica gel (200 g, [1/1] Dichloromethane/n-hexane eluant) to yield the ketal as a white crystalline solid (26.74 g, 91 percent). m. p.: [65-67°C.]

References: [1]Patent: WO2004/13120,2004,A1 .Location in patent: Page 81-82.

37
[ 124-38-9 ]
[ 363-52-0 ]
[ 823797-30-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; at 170℃; under 38002.6 Torr; for 16h;	A mixture of 3-fluoro-1, 2-benzenediol (0.078 mol) and K2CO3 under CO2 (gas, 50 atm or 5,066 M. Pa) was stirred at 170°C for 16 hours. The reaction mixture was acidified with an aqueous HC1 solution, and the solvent was evaporated. Diethyl ether (500 ml) was added to the residue and the mixture was stirred for 15 minutes, cooled, then filtered over celite. The filtrate's solvent was evaporated, yielding 3.8 g of intermediate (23).
	With potassium carbonate; at 170℃; under 38002.6 Torr; for 16h;	A mixture OF 3-FLUORO-1, 2-benzenediol (0.078 mol) and K2CO3 under C02 (gas, 50 atm or 5,1 M. Pa) was stirred at 170°C for 16 hours. The reaction mixture was acidified with an aqueous HCL solution, and the solvent was evaporated. Diethyl ether (500 ml) was added to the residue and the mixture was stirred for 15 minutes, cooled, then filtered over celite. The filtrate's solvent was evaporated, yielding 3.8 g of intermediate (9).

References: [1]Patent: WO2005/3124,2005,A1 .Location in patent: Page 20.
[2]Patent: WO2005/3122,2005,A1 .Location in patent: Page 18.

38
[ 15102-42-8 ]
[ 363-52-0 ]
[ 313950-76-4 ]
[ 313950-79-7 ]

Yield	Reaction Conditions	Operation in experiment
22%; 92%	With potassium carbonate; In acetonitrile;	EXAMPLE 1 2-(5-Fluoro-2-methoxy-1,4-benzodioxan-2-yl)-2-imidazoline Stage 1: 5-Fluoro-1,4-benzodioxane-2-carboxamide. A solution containing 50 g of <strong>[363-52-0]3-fluorocatechol</strong> (391 mmol), 99.3 g of 2,3-dibromopropionamide (430 mmol, 1.1 eq.) and 108.1 g of ground potassium carbonate (782 mmol, 2 eq.) in 400 ml of acetonitrile is heated at 60 C. for 16 hours. The reaction mixture is filtered and the filtrate is then evaporated to dryness. 70.5 g of a pale yellow solid are obtained (92% yield; 1/1 mixture of the two regioisomers). Successive recrystallizations from hot ethanol give 16.7 g of pure 5-fluoro-1,4-benzodioxane-2-carboxamide (22% yield). Melting point: 167 C. 1H NMR (400 MHz, CDCl3):6.86-6.71 (m, 3H, aromatics); 6.52 (broad s, 1H, NH); 6.11 (broad s, 1H, NH); 4.72 (dd, J=2.4 and 7.2 Hz, 1H, H2); 4.62 (dd, J=2.4 and 11.6 Hz, 1H, H3A); 4.23 (dd, J=7.2 and 11.6 Hz, 1H, H3B).

References: [1]Patent: US6610725,2003,B1 .

39
[ 363-52-0 ]
4-bromo-3-fluorobenzene-1,2-diol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%		4-Bromo-3-fluorobenzene-l,2-diolFluoroboric acid (1.08 mL, 7.81 mmol) were added dropwise to 3-fiuorocatechol (1.00 g, 7.81 mmol) in acetonitrile (10 mL) at -30 0C over a period of 5 minutes under argon. N- Bromosuccinimide (1.39 g, 7.81 mmol) was then added portionwise to the reaction mixture. The resulting solution was allowed to warm to room temperature and stirred for 30 minutes. The reaction mixture was poured into water (50 mL) and extracted with EtO2 (3 x 20 mL). The organic portion was washed with brine (2 x 50 mL), dried over Na2SO4 and the solvent evaporated to afford crude product as a grey-brown oil wich solidified on standing. The crude product was purified by flash silica chromatography, elution gradient 0 to 40percent EtOAc in isohexane. Pure fractions were evaporated to dryness to afford 4-bromo- 3-fiuorobenzene-l,2-diol (1.43 g, 88 percent) as a cream oil which solidified on standing. MS (+ve ESI) : Rt = 1.57 min, 207.24 (M+H)+ 1R NMR (500.13 MHz, DMSO-d6) delta 6.58 - 6.60 (2H, m), 6.87 - 6.90 (IH, m)
	With bromine; In tetrachloromethane; chloroform;	The O-[(4-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]hydroxylamine hydrochloride used as the starting material can be prepared as follows: <strong>[363-52-0]3-Fluorocatechol</strong> (7.2 g) in 50 ml of carbon tetrachloride and 40 ml of chloroform are treated at -10° C. within 10 minutes with a solution of 2.88 ml of bromine in 30 ml of carbon tetrachloride. After stirring at -10° C. for 1 hour the reaction mixture is filtered. The residual solid is washed with a small amount of cold carbon tetrachloride and dried. There are obtained 6.30 g of 4-bromo-<strong>[363-52-0]3-fluorocatechol</strong> as a white powder.

References: [1]Patent: WO2009/1127,2008,A1 .Location in patent: Page/Page column 268.
[2]Patent: US5438052,1995,A .

40
[ 31643-49-9 ]
[ 363-52-0 ]
[ 161204-25-7 ]

Yield	Reaction Conditions	Operation in experiment
80%	With potassium carbonate; In dimethyl sulfoxide;	EXAMPLE 8 Preparation of 1,2-bis-(3,4-dicyanophenoxy)-3-fluorobenzene 3.60 g (0.02 moles plus 0.14 g excess) of 4-nitrophthalonitrile was dissolved in 50 ml anhydrous DMSO in a 100 ml three-necked flask fitted with a magnetic stirrer bar under nitrogen. 1.28 g (0.01 moles) of <strong>[363-52-0]3-fluorocatechol</strong> (Aldrich) was added to the mixture followed by 5 g of anhydrous potassium carbonate. The mixture was stirred at room temperature for 24 hours. The workup was as described in Example 5 and yielded 3.04 g of off-white crystals of the title compound (80percent theoretical yield). The product had the formula: STR15 The melting point was 198.5°-199.5° C. The elemental analysis for C22 H9 FN4 O2 was calc.: C, 69.47percent; H, 2.36percent; N, 14.73percent; found: C, 69.47percent; H, 2.34percent; N, 14.80percent.

References: [1]Patent: US5675020,1997,A .

41
[ 170353-20-5 ]
[ 170353-51-2 ]
[ 363-52-0 ]
[ 98-59-9 ]
[ 106-89-8 ]
[ 170353-53-4 ]
[ 170353-52-3 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In pyridine; cyclohexane; water;	EXAMPLE 23 Epichlorohydrin (18.3 ml) was added dropwise under nitrogen to a solution of <strong>[363-52-0]3-fluorocatechol</strong> (10 g) and potassium hydroxide (4.56 g) in water (45 ml) and the mixture heated under reflux for 41/2 hours. The mixture was cooled and the product extracted into ethyl acetate (350 ml). The organic extract was washed with aqueous sodium hydroxide solution (25percent), then brine, then dried over magnesium sulphate. The solvent was removed in vacuo to give a crude mixture of 1-(5-fluoro-1,4-benzodioxan-2-yl)methanol and 1-(8-fluoro-1,4-benzodioxan-2-yl)methanol (15.5 g). A solution of the crude mixture of isomers from the previous reaction (15.5 g) and toluene-4-sulphonyl chloride (14.88 g) in pyridine (20 ml) was stirred at ambient temperature for 18 hours. Water (100 ml) was added and the products extracted into ethyl acetate (350 ml). The organic extract was washed with dilute hydrochloric acid, then brine, and dried over magnesium sulphate. The solvent was removed in vacuo and the residue purified by flash chromatography over silica using a 1:1 mixture of cyclohexane and ether as eluant. Appropriate fractions were combined and the residue obtained after removal of the solvent in vacuo was further purified by flash chromatography on silica using a 7:3 mixture of cyclohexane and ether as eluant. The solvent was removed from the appropriate fractions in vacuo to give a mixture of 5-fluoro-1,4-benzodioxan-2-ylmethyl toluene-4-sulphonate and 8-fluoro-1,4-benzodioxan-2-ylmethyl toluene-4-sulphonate (4.5 g).

References: [1]Patent: US5767116,1998,A .

42
[ 363-52-0 ]
3-acetoxymethyl-7-aminoceph-3-em-4-carboxylic acid [ No CAS ]
7-amino-3-(3-fluoro-4,5-dihydroxyphenyl) methyl-3-cephem-4-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydrogencarbonate; In water; acetonitrile boron trifluoride complex;	B. 7-amino-3-(3-fluoro-4,5-dihydroxyphenyl) methyl-3-cephem-4-carboxylic acid <strong>[363-52-0]3-fluorocatechol</strong> 1.0 g was dissolved in 15% borontrifluoride acetonitrile solution. To the solution was added 7-aminocephalosporanic acid at 5 C. After the stirring for 40 hours at room temperature, the reaction mixture was concentrated to dryness and dissolved in water with the addition of sodium bicarbonate pH 7.0). The solution was washed with ethyl acetate and acidified with 6N-hydrochloric acid to pH The resulting crude crystals were collected by filtration and washed with water to give a mixture of the title compounds (1.74 g).

References: [1]Patent: US5120728,1992,A .

43
[ 363-52-0 ]
[ 74-95-3 ]
[ 943830-74-8 ]

Yield	Reaction Conditions	Operation in experiment
80%	With potassium carbonate; In N,N-dimethyl-formamide; at 110℃; for 2h;	4 g of <strong>[363-52-0]3-fluorocatechol</strong>, 3.36 ml of dibromomethane and 6.5 g of potassium carbonate were dissolved in 30 ml of N,N-dimethylformamide, and reacted at 110 ° C for 2 hours.After the reaction was completed, water was added to the reaction mixture, and the mixture was combined with EtOAc.The residue was purified by EtOAc (EtOAc) 3.5 g of light yellow oil in a yield of 80percent.
60%	With cesium fluoride; In N,N-dimethyl-formamide; at 60 - 110℃; for 5.25h;Inert atmosphere;	Under a nitrogen atmosphere, 7.21 g of 3-fluorocarboxylic acid (2) was added to 300 mL of DMF,68.4 g of cesium fluoride was added and stirred for 15 min.Heated to 60 ° C, dropping 31.5 mL of dibromomethane,The temperature was raised to 110 ° C, the reaction was carried out for about 5 hours, the reaction solution was poured into 600 mL of ice water,Extracted with ethyl acetate 300 mL x 3, the combined organic phases were washed twice with distilled water,Saturated aqueous sodium chloride solution once, and dried over anhydrous sodium sulfate overnight.The desiccant was filtered off and the solvent was evaporated under reduced pressure to give a pale yellow oil which was separated by silica gel column chromatography,Eluting with petroleum ether: dichloromethane = 3: 1 to collect the desired fractions,Evaporated to dryness under reduced pressure to give 4.7 g of product (3) in 60percent yield.
60%		Under the protection of nitrogen,Add 7.2 g of intermediate 2 to 300 mL of DMF.Stir well,Add 68g of cesium fluoride,Stir for 15 min.Warming up to 60 ° C,31.5 mL of dibromomethane was added dropwise.After the drop,Warming up to 110 ° C,The reaction is about 5 hours;Pour the reaction solution into 600 mL of ice water.Extracted with ethyl acetate 300 mL×3,Combine the organic phase,Wash twice with distilled water,Wash once with saturated aqueous sodium chloride solution,It was dried over anhydrous sodium sulfate overnight.Filter out the desiccant,Evaporate the solvent under reduced pressure.Light yellow oil,The residue was separated by silica gel column chromatography.Elution with petroleum ether: dichloromethane = 3:1,Collect the required components,Evaporation to dryness under reduced pressure gave 4.9 g of Intermediate 3.The yield was 60percent.

	With sodium hydroxide; Aliquat 336; In water; for 3.5h;Heating / reflux;	13. Preparation of l-fluoro-2.3-methylenedioxybenzene; Alliquat 336 (methyltrioctylammonium chloride (0.63 g, 0.0016 mol), dibromomethane (40.7 g, 234.2 mmol), and water (31 mL) were placed in a 500 mL 3-necked flask equipped with an addition funnel, condenser and a stir bar. The addition funnel was charged with a solution of <strong>[363-52-0]3-fluorocatechol</strong> (20.0 g, 6.1 mmol) in 5M sodium hydroxide (80 mL). The mixture in the flask was heated to reflux and the solution of the catechol was added dropwise with good stirring over 1.5 hours. The resulting dark mixture was heated an additional 2 hours at reflux. After cooling to room temperature, the reaction was diluted with methylene chloride and water. The aqueous layer was extracted with methylene chloride and the combined organic layers were dried and concentrated to give l-fluoro-2,3- methylenedioxybenzene (14.6 g, 104.2 mmol) as a dark yellow oil: 1H NMR (CDCl3): delta 6.80 (m, IH), 6.68 (m, 2H), 6.04 (s, 2H).
	With sodium hydroxide; Aliquat 336; In water; for 4h;Heating / reflux;	19. Preparation of 1-fluoro-2,3-methylenedioxybenzene; Alliquat 336 (methyltrioctylammonium chloride, 0.63 g, 1.6 mmol), dibromomethane (40.7 g, 234.2 mmol) and water (31 mL) were placed in a 500 mL 3-necked flask equipped with an addition funnel, condenser and a stir bar. The addition funnel was charged with a solution of <strong>[363-52-0]3-fluorocatechol</strong> (20.0 g, 160 mmol) in 5M sodium hydroxide (80 mL). The mixture in the flask was heated to reflux and the solution of the catechol was added dropwise with good stirring over 2 hours and the resulting dark mixture heated an additional 2 hours at reflux. After cooling to room temperature, the reaction was diluted with methylene chloride and the layers separated. The aqueous layer was extracted with methylene chloride and the combined organic layers dried (Na2SO4 with charcoal). Filtration and concentration to a constant weight on the rota-vap gave 1-fluoro-2,3-methylenedioxybenzene (14.6 g, 104.2 mmol) as a dark yellow oil: 1H NMR (CDCl3); 6.80 (m, 1H), 6.68 (m, 2H), 6.04 (s, 2H).

References: [1]Patent: CN107840845,2018,A .Location in patent: Paragraph 0159; 0160; 0161; 0162.
[2]Patent: CN102850335,2017,B .Location in patent: Paragraph 0020-0021.
[3]Patent: CN108947989,2018,A .Location in patent: Paragraph 0010; 0013; 0014.
[4]Patent: WO2007/82076,2007,A1 .Location in patent: Page/Page column 31.
[5]Patent: US2007/179060,2007,A1 .Location in patent: Page/Page column 11.

44
[ 1310-66-3 ]
[ 363-52-0 ]
[ 11113-50-1 ]
lithium bis(3-fluoro-1,2-benzenediolato⁽²⁾-O,O')borate dihydrate [ No CAS ]

References: [1]Journal of the Electrochemical Society,1996,vol. 143,p. 3565 - 3571.

45
[ 363-52-0 ]
[ 144025-03-6 ]
[ 365458-32-8 ]

References: [1]Journal of the Electrochemical Society,2004,vol. 151,p. A1429-A1435.

46
[ 196083-18-8 ]
[ 363-52-0 ]
[ 365458-33-9 ]

References: [1]Journal of the Electrochemical Society,2004,vol. 151,p. A1429-A1435.

47
[ 363-52-0 ]
[ 1423-26-3 ]
[ 402564-35-6 ]

References: [1]Journal of the Electrochemical Society,2004,vol. 151,p. A1429-A1435.

48
[ 363-52-0 ]
[ 106-93-4 ]
[ 69464-49-9 ]

Yield	Reaction Conditions	Operation in experiment
66%	With potassium carbonate; In N,N-dimethyl-formamide; at 50℃; for 12h;	2 g of <strong>[363-52-0]3-fluorocatechol</strong>, 1.51 ml of 1,2-dibromoethane and 6.6 g of potassium carbonate were dissolved in 30 ml of N,N-dimethylformamide, and reacted at 50 ° C for 12 hours.After the reaction was completed, water was added to the reaction mixture, and the mixture was combined with EtOAc.The residue was separated by column chromatography (petroleum ether) to give the title compound (Intermediate II-2) 1.6 g pale yellow oil, yield 66percent.
38%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 72h;	Example 53; (2R)-2-[(4-[(5-Fluoro-2,3-dihydro-l,4-benzodioxin-6- yl)methyl]amino}-l-piperidinyl)methyl]-l,2-dihydro-3H,8H-2a,5,8a- triazaacenaphthylene-3,8-dione hydrochloride; (a) 5-Fluoro-2,3-dihydro-l,4-benzodioxin; A solution of 3-fluoro-l,2-benzenediol (5.278 g, 41.2 mmol) in DMF (50 ml) was treated with potassium carbonate (17.08 g, 124 mmol) and 1 ,2-dibromoethane (3.91 ml, 45.3 mmol) and stirred at rt for 72h. The reaction was treated with water (200ml) and extracted 3x200ml (EtOAc). The combined organic extracts were washed with water (200ml), brine (200ml), dried (MgSO4), evaporated and chromatographed (0-20percent EtOAc-Cyclohexane) to give product as a clear oil. (2.437g, 38percent).1HNMR deltaH CDCl3, (400MHz) 4.22-4.39 (m, 4H), 6.60-6.82 (m, 3H).
	With potassium carbonate; In N,N-dimethyl-formamide; at 110℃;	To a mixture of 3- fluorobenzene-l ,2-diol (25.0 g, 195 mmol) and K2C03 (81.0 g , 585 mmol) in DMF (150 mL) was added 1 ,2-dibromoethane (33.6 ml, 390 mmol). After stirred at 1 10 °C temperature overnight, the reaction mixture was poured into water (500 mL), extracted with EtOAc (3 x 500 mL). The combined extracts were washed with water, brine, dried over anhydrous Na2SC"4, and concentrated under reduced pressure, and purified by silica gel column chromatography with PE/EtOAc (40: 1) to give compound 1.

	With potassium carbonate; In N,N-dimethyl-formamide; at 110℃;	5-Fluoro-2,3-dihydrobenzo[b][1,4]dioxine 1-A. To a mixture of 3- fluorobenzene-1,2-diol (25.0 g, 195 mmol) and K2C03 (81.0 g, 585 mmol) in DMF (150 mL) was added 1,2-dibromoethane (33.6 ml, 390 mmol). After stirred at 110 °C temperature overnight, the reaction mixture was poured into water (500 mL), extracted with EtOAc (3 x 500 mL). The combined extracts were washed with water, brine, dried over anhydrous Na2SO4, and concentrated under reduced pressure, and purified by silica gel column chromatography with PE/EtOAc (40:1) to afford compound 1-A.
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 96h;	To a solution of <strong>[363-52-0]3-fluorocatechol</strong> (5.30 g, 41.2 mmol) and K2CO3 (17.1 g, 124 mmol) in DMF (50 mL) was added 1,2-dibromoethane (3.90 mL, 45.3 mmol) and the mixture was left to stir at room temperature for 4 days. Water (50 mL) was added and the mixture was extracted with EtOAc (3*50 mL). The combined organic layers were dried (MgSO4), filtered, and concentrated in vacuo. The crude product was purified by flash chromatography (SiO2, 20percent EtOAc in hexanes) to obtain 5-fluoro-2,3-dihydro-1,4-benzodioxine. 1H NMR (400 MHz, Chloroform-d) delta 6.78-6.71 (m, 1H), 6.71-6.64 (m, 2H), 4.40-4.24 (m, 4H).

References: [1]Patent: CN107840845,2018,A .Location in patent: Paragraph 0164; 0165; 0166; 0167.
[2]Patent: WO2008/128942,2008,A1 .Location in patent: Page/Page column 106.
[3]Patent: WO2015/143161,2015,A1 .Location in patent: Paragraph 00271.
[4]Patent: WO2017/53537,2017,A1 .Location in patent: Paragraph 00503; 00504.
[5]Patent: US2018/8554,2018,A1 .Location in patent: Paragraph 0286; 0287.

49
[ 74-96-4 ]
[ 363-52-0 ]
[ 226555-35-7 ]

Yield	Reaction Conditions	Operation in experiment
81%	With sodium hydroxide; In ethanol; at 10℃; for 5h;Heating / reflux;Product distribution / selectivity;	2) Synthesis of 1,2-diethoxy-3-fluorobenzene [G1] To a 500 ml flask were added 38.4 (0.3 mol) of <strong>[363-52-0]3-fluorocatechol</strong> [H], 12 g (0.3 mol) of sodium hydroxide and 100 ml of ethanol. After cooling to around 10°C, 100 ml of an ethanol solution of 76.3 g (0.7 mol) of bromoethane was slowly added. After the termination of the addition, they were reacted under a reflux temperature for 5 hours. After the termination of the reaction, dichloromethane was added, followed by extraction. The extraction liquid was washed with water and dried, and the solvent was removed by distillation to obtain 45.5 g of 1,2-diethoxy-3-fluorobenzene [G1] as an oily product. The process yield was 81percent.
81%	With sodium hydroxide; In ethanol; at 10℃;Reflux;	2) Synthesis of 1,2-diethoxy-3-fluorobenzene [G1]; To a 500 ml flask were added 38.4 (0.3 mol) of <strong>[363-52-0]3-fluorocatechol</strong> [H], 12 g (0.3 mol) of sodium hydroxide and 100 ml of ethanol. After cooling to around 10° C., 100 ml of an ethanol solution of 76.3 g (0.7 mol) of bromoethane was slowly added. After the termination of the addition, they were reacted under a reflux temperature for 5 hours. After the termination of the reaction, dichloromethane was added, followed by extraction. The extraction liquid was washed with water and dried, and the solvent was removed by distillation to obtain 45.5 g of 1,2-diethoxy-3-fluorobenzene [G1] as an oily product. The process yield was 81percent.

References: [1]Patent: EP2055692,2009,A1 .Location in patent: Page/Page column 9.
[2]Patent: US2009/227817,2009,A1 .Location in patent: Page/Page column 6.

50
[ 28177-50-6 ]
[ 363-52-0 ]

Yield	Reaction Conditions	Operation in experiment
78%		1) Synthesis of 3-fluorocatechol [H]: To a 500 ml flask were added 119 g (0.5 mol) of 2-fluoro-6-iodophenol and 200 ml of a 30percent aqueous potassium hydroxide solution and they were reacted under vigorous stirring under a reflux temperature for 8 hours. After the termination of the reaction, the mixture was cooled to ordinary temperature and neutralized with hydrochloric acid to adjust pH between 2 and 3. After filtration, the filtrate was washed with water to obtain 49.9 g of a product [H]. The process yield was 78percent.
78%		Example 5; Synthesis of 1,2-diethoxy-3-fluorobenzene [G1]; 2-Fluoro-6-iodophenol as a product of Example 2 was hydrolyzed and then subjected to an etherification reaction to obtain 1,2-diethoxy-3-fluorobenzene [G1].1) Synthesis of 3-fluorocatechol [H]:; To a 500 ml flask were added 119 g (0.5 mol) of 2-fluoro-6-iodophenol and 200 ml of a 30percent aqueous potassium hydroxide solution and they were reacted under vigorous stirring under a reflux temperature for 8 hours. After the termination of the reaction, the mixture was cooled to ordinary temperature and neutralized with hydrochloric acid to adjust pH between 2 and 3. After filtration, the filtrate was washed with water to obtain 49.9 g of a product [H]. The process yield was 78percent.

References: [1]Patent: EP2055692,2009,A1 .Location in patent: Page/Page column 9.
[2]Patent: US2009/227817,2009,A1 .Location in patent: Page/Page column 6.

51
[ 1486-50-6 ]
[ 363-52-0 ]
C₃₄H₂₅FO₆ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 2191 - 2194.

52
[ 363-52-0 ]
[ 4349-62-6 ]
C₃₄H₂₅FO₆ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 2191 - 2194.

53
[ 363-52-0 ]
[ 1486-54-0 ]
C₄₈H₃₇FO₈ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 2191 - 2194.

54
[ 363-52-0 ]
[ 1486-47-1 ]
C₆₂H₄₉FO₁₀ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 2191 - 2194.

Historical Records

Technical Information

• Acidity of Phenols • Alkyl Halide Occurrence • Chan-Lam Coupling Reaction • Electrophilic Substitution of the Phenol Aromatic Ring • Etherification Reaction of Phenolic Hydroxyl Group • Halogenation of Phenols • Oxidation of Phenols • Pechmann Coumarin Synthesis • Preparation of Aldehydes and Ketones • Reactions of Benzene and Substituted Benzenes • Reimer-Tiemann Reaction

Related Functional Groups of
[ 363-52-0 ]

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2-Fluoro-6-methoxyphenol

Similarity: 0.88

A762398 [6418-38-8]

2,3-Difluorophenol

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A267007 [371-41-5]

4-Fluorophenol

Similarity: 0.86

A159857 [28177-48-2]

2,6-Difluorophenol

Similarity: 0.85

Aryls

A111896 [55660-73-6]

2-Fluorobenzene-1,4-diol

Similarity: 0.92

A674419 [73943-41-6]

2-Fluoro-6-methoxyphenol

Similarity: 0.88

A762398 [6418-38-8]

2,3-Difluorophenol

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A267007 [371-41-5]

4-Fluorophenol

Similarity: 0.86

A159857 [28177-48-2]

2,6-Difluorophenol

Similarity: 0.85

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P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 363-52-0

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CAS No.: 363-52-0

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[ 363-52-0 ]

Fluorinated Building Blocks

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{[proInfo.proName]}

CAS No.: 363-52-0

{[proInfo.proName]}

CAS No.: 363-52-0

Alternative Products

Product Details of [ 363-52-0 ]

Safety of [ 363-52-0 ]

Computational Chemistry of [ 363-52-0 ] Show Less

Physicochemical Properties

Lipophilicity

Water Solubility

Pharmacokinetics

Druglikeness

Medicinal Chemistry

Application In Synthesis of [ 363-52-0 ]

[ 363-52-0 ] Synthesis Path-Downstream 1~54

Related Products

Historical Records

Technical Information

Categories

Related Functional Groups of [ 363-52-0 ]

Fluorinated Building Blocks

Aryls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Molarity Calculator

Total Compounds Calculator

Dissolution Calculator

Related Functional Groups of
[ 363-52-0 ]