[ CAS No. 53104-96-4 ] {[proInfo.proName]}

Name: 53104-96-4|2-(Difluoromethoxy)phenol|97%
Brand: Ambeed
SKU: A130973
Price: 15.0 USD
Availability: InStock
Rating: 96 (22 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 53104-96-4

Structure of 53104-96-4 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 53104-96-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 53104-96-4 ]

SDS Specification

Alternatived Products of [ 53104-96-4 ]

Product Details of [ 53104-96-4 ]

CAS No. :	53104-96-4	MDL No. :	MFCD00236234
Formula :	C₇H₆F₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PVNTURWWDZNXTK-UHFFFAOYSA-N
M.W :	160.12	Pubchem ID :	2774121
Synonyms :

Calculated chemistry of [ 53104-96-4 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.06
TPSA :	29.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	2.24
Log Po/w (WLOGP) :	2.83
Log Po/w (MLOGP) :	1.48
Log Po/w (SILICOS-IT) :	1.75
Consensus Log Po/w :	1.99

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.52
Solubility :	0.489 mg/ml ; 0.00305 mol/l
Class :	Soluble
Log S (Ali) :	-2.49
Solubility :	0.513 mg/ml ; 0.0032 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.16
Solubility :	1.11 mg/ml ; 0.00695 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.58

Safety of [ 53104-96-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 53104-96-4 ]

* 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.

Upstream synthesis route of [ 53104-96-4 ]
Downstream synthetic route of [ 53104-96-4 ]

[ 53104-96-4 ] Synthesis Path-Upstream 1~3

1
[ 1717-59-5 ]
[ 120-80-9 ]
[ 53104-96-4 ]

Reference： [1] Journal of Fluorine Chemistry, 1989, vol. 44, p. 433 - 440

2
[ 6272-38-4 ]
[ 53104-96-4 ]

Reference： [1] Patent: WO2018/69863, 2018, A1,

3
[ 120-80-9 ]
[ 53104-96-4 ]

Reference： [1] Patent: WO2018/69863, 2018, A1,

[ 53104-96-4 ] Synthesis Path-Downstream 1~14

1
[ 1717-59-5 ]
[ 120-80-9 ]
[ 53104-96-4 ]

Reference： [1]Journal of Fluorine Chemistry,1989,vol. 44,p. 433 - 440

Yield	Reaction Conditions	Operation in experiment
		By following the procedure of part A, and substituting benzofurazan-4-ol and epibromohydrin with the following: ... b. 2-nitrophenol and epibromohydrin, c. 2-chlorophenol and epibromohydrin, d. 2-difluoromethoxyphenol and epibromohydrin, e. pyridin-3-ol and epibromohydrin, and ...

3
[ 53104-96-4 ]
[ 869088-27-7 ]

Yield	Reaction Conditions	Operation in experiment
62%	With aluminum (III) chloride; sulfuryl dichloride; diphenyl sulfide; at 20℃; for 18.0h;	Sulfuryl chloride (2.65 mL, 33 mmol) was added portionwise to a mixture of <strong>[53104-96-4]2-(difluoromethoxy)phenol</strong> (4.9 g, 30.6 mmol), aluminium chloride (31.3 mg, 0.234 mmol) and diphenyl sulfide (5 drops). The reaction mixture was stirred for 18 hours at room temperature to give a dark brown solution. The crude product was then purified by column chromatography on silica gel, eluting with pentane:ethyl acetate, 98:2 to 0:100, to yield some title compound as a colourless oil. The remaining fractions were re-purified by column chromatography on silica gel, eluting with pentane:diethyl ether:ethyl acetate, 90:10:0 to 70:30:0 to 0:0:100, to afford a further amount of title compound giving a combined yield of 62%, 3.72 g. 1H NMR (CDCl3, 400 MHz) delta: 5.44(s, 1H), 6.55(s, 1H), 6.95(d, 1H), 7.12(m, 2H).
29%	With aluminum (III) chloride; sulfuryl dichloride; diphenyl sulfide; at 20℃;Cooling with ice;	To an ice cold suspension of <strong>[53104-96-4]2-(difluoromethoxy)phenol</strong> (6.54 g, 0.00408 mol), aluminum trichloride (0.0544 g, 0.000408 mol) and 1,1'-thiodibenzene (0.068 mL, 0.000408 mol) was added sulfuryl dichloride (3.61 mL, 0.0449 mmol) dropwise. The reaction was allowed to warm to room temperature and stirred for 16 hours. The reaction was diluted in dichloromethane (10.0 mL) and purified using silica gel column chromatography eluting with 0-20% EtOAc in heptane. The title compound was isolated as a colourless oil (2.33 g, 0.01195 mol, 29%).LCMS Rt=1.44 minutes MS m/z 193 [M-H]-1H NMR (400 MHz, CDCl3): delta 5.50 (s, 1H), 6.36-6.73 (t, 1H), 6.96-6.98 (d, 1H), 7.11-7.13 (dd, 1H), 7.14-7.15 (m, 1H).

Reference： [1]Patent: US2005/250775,2005,A1 .Location in patent: Page/Page column 30
[2]Patent: US2012/10207,2012,A1 .Location in patent: Page/Page column 41

Yield	Reaction Conditions	Operation in experiment
		(a) 275 g of chlorodifluoromethane are passed at 50-55 C. into a solution of 100 g of pyrocatechol, 220 g of sodium hydroxide and 60 g of sodium dithionite in 500 ml of water and 400 ml of dioxane, analogously to L. N. Sedova et al., Zh. Org. Khim. 6, 568 (1970). After distillation at 61-62 C./1.0-1.1 pKa, this gives a mixture of 1,2-bis-(difluoromethoxy)-benzene and 2-difluoromethoxyphenol, which are separated by chromatography on silica gel by means of cyclohexane/ethyl acetate (4:1).
		(a) 275 g of chlorodifluoromethane are passed into a solution of 100 g of pyrocatechol, 220 g of sodium hydroxide and 60 g of sodium dithionite in 500 ml of water and 400 ml of dioxane at 50-55 C. analogously to L. N. Sedova et al., Zh. Org. Khim. 6, 568 (1970). After distillation at 61-62 C./1.0-1.1 kPa, a mixture of 1,2-bis(difluoromethoxy)benzene and 2-difluoromethoxyphenol is obtained, the products being separated by chromatography on silica gel by means of cyclohexane/ethyl acetate (4:1).

5
[ 53104-96-4 ]
[ 1257072-89-1 ]

Yield	Reaction Conditions	Operation in experiment
22%	With nitric acid; acetic acid; In water; at 0℃;	Step 1. 2-(difluoromethoxy)-6-nitrophenolTo a solution of <strong>[53104-96-4]2-(difluoromethoxy)phenol</strong> (prepared as described in U.S. Pat. No. 4,512,984; 0.90 g, 5.6 mmol) in acetic acid (1 mL) at 0 C. was added drop-wise white nitric acid (65%, 0.43 mL, 6.7 mmol). The reaction mixture was then poured into water and extracted with diethyl ether three times. The combined extracts were washed with brine, dried over sodium sulfate, decanted and concentrated. Flash column chromatography, eluting with a gradient from 20-50% CHCl3 in hexanes afforded product as a yellow syrup (250 mg, 22%). 1H NMR (300 MHz, CDCl3): delta 10.77 (s, 1H), 8.03 (dd, 1H), 7.56-7.51 (m, 1H), 6.99 (t, 1H), 6.67 (t, 1H).

Reference： [1]Patent: US2010/298334,2010,A1 .Location in patent: Page/Page column 119

6
[ 53104-96-4 ]
[ 1621060-60-3 ]
C₂₂H₁₅F₅N₂O₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 100℃; for 0.833333h;	General procedure: Example 1 Preparation of 5-(2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzamido)picolinic acid (65) [embedded image] A solution of 2-fluoro-5-(trifluoromethyl)benzoyl chloride (2.98 mL, 19.72 mmol) in dichloromethane (22.3 mL) was added drop-wise to a mixture of methyl 5-aminopyridine-2-carboxylate (3.0 g, 19.72 mmol), pyridine (4.80 mL, 59.16 mmol) and dichloromethane (89.4 mL) at 0 C. The mixture was removed from the ice bath after 1.5 hours and was stirred at room temperature for 0.5 hours. The mixture was poured into 1N HCl (50 mL) and dichloromethane (50 mL). The layers were separated and the organic layer was dried over sodium sulfate, filtered and concentrated under reduced pressure. The product was slurried in hexanes to remove impurities. The solid was isolated by filtration rinsing with hexanes to yield methyl 5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (5.16 g, 76%) as an off-white solid. 1H NMR (400 MHz, DMSO-d6) - 11.18 (s, 1H), 8.95 (d, J=2.5 Hz, 1H), 8.38 (dd, J=8.6, 2.5 Hz, 1H), 8.16 (dd, J=6.1, 2.4 Hz, 1H), 8.13 (d, J=8.6 Hz, 1H), 8.09-7.98 (m, 1H), 7.67 (t, J=9.2 Hz, 1H), 3.88 (s, 3H) ppm. ESI-MS m/z calc. 342.06. found 343.2 (M+1)+. Retention time: 1.54 minutes (3 minutes run).To 5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (51.3 mg, 0.15 mmol) in N-methylpyrrolidinone (1 mL) was added 2,4-dimethoxyphenol (23.1 mg, 0.45 mmol), cesium carbonate (146.6 mg, 0.45 mmol) and the mixture was heated at 100 C. for 50 minutes to yield methyl 5-(2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzamido)picolinate that was taken into the next step without further purification.Sodium hydroxide (150 -L, 3M) and methanol (150 -L) were added to the methyl 5-(2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzamido)picolinate prepared in the previous step, and the reaction was stirred at 50 C. from 3 hours. The reaction mixture was filtered and purified by reverse phase preparative chromatography utilizing a gradient of 10-99% acetonitrile in water containing HCl as a modifier to yield 5-(2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzamido)picolinic acid hydrochloric acid (65) (37.3 mg, 49%). 1H NMR (400 MHz, DMSO-d6) - 10.97 (s, 1H), 8.97 (d, J=2.5 Hz, 1H), 8.35 (dd, J=8.8, 2.5 Hz, 1H), 8.09 (d, J=8.6 Hz, 1H), 8.00 (d, J=2.3 Hz, 1H), 7.78 (dd, J=8.9, 2.4 Hz, 1H), 7.24 (d, J=8.8 Hz, 1H), 6.92-6.69 (m, 2H), 6.61 (dd, J=8.8 The following compounds were prepared using a procedure similar to the one described above for compound 65 from the following alcohols., 2.8 Hz, 1H), 3.79 (s, 3H), 3.73 (s, 3H) ppm. ESI-MS m/z calc. 462.10. found 463.5 (M+1)+. Retention time: 1.81 minutes (3 minutes run). The following compounds were prepared using a procedure similar to the one described above for compound 65 from the following alcohols.

Reference： [1]Patent: US2014/221435,2014,A1 .Location in patent: Paragraph 0577-0581

7
[ 53104-96-4 ]
[ 1621060-74-9 ]
C₂₂H₁₅Cl₂F₂NO₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 80℃; for 2.5h;	General procedure: Example 11 Preparation of 4-(4,5-dichloro-2-(4-chloro-2-methoxyphenoxy)benzamido)benzoic acid (18) [embedded image] A solution of 4,5-dichloro-2-fluoro-benzoyl chloride (794.5 mg, 3.49 mmol) in dichloromethane (7.3 mL) was added drop-wise to a mixture of methyl 4-aminobenzoate (528.0 mg, 3.49 mmol), pyridine (847.6 -L, 10.48 mmol) and dichloromethane (11.0 mL) at 0 C. The reaction was stirred and allowed to warm up to room temperature over 1.5 hours. To the reaction, water (10 mL) was added. The solid was isolated by filtration, washed with water (210 mL) and hexane (210 mL) to yield methyl 4-[(4,5-dichloro-2-fluoro-benzoyl)amino]benzoate (955 mg, 80%) as a light pink solid. ESI-MS m/z calc. 341.00. found 342.2 (M+1)+. Retention time: 1.75 minutes (3 minutes run). 1H NMR (400 MHz, DMSO-d6) - 10.90 (s, 1H), 8.03 (d, J=6.7 Hz, 1H), 8.02-7.95 (m, 2H), 7.93 (d, J=9.4 Hz, 1H), 7.88-7.76 (m, 2H), 3.84 (s, 3H) ppm.A mixture of methyl 4-[(4,5-dichloro-2-fluoro-benzoyl)amino]benzoate (34.21 mg, 0.1 mmol), 4-chloro-2-methoxyphenol (12.16 -l, 0.1 mmol), potassium carbonate 13.82 mg, 0.1 mmol) and N-methylpyrrolidinone (1 mL) were heated at 80 C. for 2.5 hours. Methanol (100 -L) and sodium hydroxide (3M, 100 -L, 0.3 mmol) were added and the reaction was stirred at 50 C. for 2 hours. An additional 100 -L of MeOH and 100 -L of 3M NaOH were added and the reactions were heated for another hour. The reaction mixture was filtered and purified by reverse phase preparative chromatography utilizing a gradient of 10-99% acetonitrile in water containing HCl as a modifier to yield 4-(4,5-dichloro-2-(4-chloro-2-methoxyphenoxy)benzamido)benzoic acid (18) (11.78 mg, 25%). ESI-MS m/z calc. 464.99. found 466.3 (M+1)+. Retention time: 2.20 minutes (3 minutes run). The following compounds were prepared using a procedure similar to the one described above for compound 18 from the following alcohols.

Reference： [1]Patent: US2014/221435,2014,A1 .Location in patent: Paragraph 0622-0625

8
[ 53104-96-4 ]
[ 1621060-62-5 ]
C₂₁H₁₄Cl₂F₂N₂O₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 70℃; for 1.5h;	General procedure: Example 2 Preparation of 5-(4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamido)picolinic acid (51) [embedded image] A solution of 4,5-dichloro-2-fluoro-benzoyl chloride (4.35 g, 19.13 mmol) in dichloromethane (40 mL) was added drop-wise to a mixture of methyl 5-aminopyridine-2-carboxylate (2.91 g, 19.13 mmol), pyridine (4.64 mL, 57.39 mmol) and dichloromethane (60 mL) at 0 C. The reaction was stirred and allowed to warm up to room temperature over 2 hours. The mixture was poured into 1N HCl (50 mL) and dichloromethane (50 mL). The two layers were separated. The aqueous layer was extracted with dichloromethane (3200 mL). The combined organic layer was washed with water (1150 mL), dried over sodium sulfate, filtered and concentrated under reduced pressure. The product was slurried in hexanes to remove impurities. The solid was isolated by filtration using hexane to yield methyl 5-[(4,5-dichloro-2-fluoro-benzoyl)amino]pyridine-2-carboxylate (5.33 g, 81%) as a cream color solid. 1H NMR (400 MHz, DMSO-d6) - 11.11 (s, 1H), 8.94 (d, J=2.5 Hz, 1H), 8.36 (dd, J=8.6, 2.5 Hz, 1H), 8.12 (d, J=8.6 Hz, 1H), 8.08 (d, J=6.6 Hz, 1H), 7.95 (d, J=9.6 Hz, 1H), 3.87 (s, 3H) ppm. ESI-MS m/z calc. 342.00. found 343.1 (M+1)+. Retention time: 1.72 minutes (3 minutes run).Methyl 5-[(4,5-dichloro-2-fluoro-benzoyl)amino]pyridine-2-carboxylate (50 mg, 0.14 mmol), 4-fluoro-2-methoxy-phenol (18.27 -L, 0.16 mmol) and K2CO3 (60.41 mg, 0.44 mmol) were combined in DMF (0.5 mL) and heated at 70 C. for 1.5 hours to form methyl 5-[[4,5-dichloro-2-(4-fluoro-2-methoxy-phenoxy)benzoyl]amino]pyridine-2-carboxylate. Aqueous NaOH (145.7 -L of 3 M, 0.44 mmol) was then added and heating continued for 30 min. HPLC purification (1-99% CH3CN/5 mM HCl) provided 5-(4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamido)picolinic acid (51) (35.28 mg, 54%) as a white solid. 1H NMR (400 MHz, DMSO-d6) - 13.05 (s, 1H), 10.96 (s, 1H), 8.93 (d, J=2.4 Hz, 1H), 8.30 (dd, J=8.7, 2.5 Hz, 1H), 8.08 (d, J=8.6 Hz, 1H), 7.97 (s, 1H), 7.27 (dd, J=8.9, 5.8 Hz, 1H), 7.12 (dd, J=10.7, 2.9 Hz, 1H), 6.91 (s, 1H), 6.84 (td, J=8.5, 2.9 Hz, 1H), 3.75 (s, 3H) ppm. ESI-MS m/z calc. 450.02. found 451.1 (M+1)+. Retention time: 1.61 minutes (3 minutes run). The following compounds were prepared using a procedure similar to the one described above for compound 51 from the following alcohols.

Reference： [1]Patent: US2014/221435,2014,A1 .Location in patent: Paragraph 0582-0585

9
[ 53104-96-4 ]
[ 63485-50-7 ]
(trans)-methyl 3-(2-(difluoromethoxy)phenoxy)cyclobutanecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 72h;	Triphenylphosphine (786 mg, 3.00 mmol) was added to a solution of 2- (difluoromethoxy)phenol (Intermediate 1 16C) (400 mg, 2.50 mmol) in tetrahydrofuran (2 ml_). The reaction mixture was cooled to 0 C, and (c/s)-methyl 3-hydroxycyclobutanecarboxylate (0.32 mL, 3.0 mmol) was added, followed by DIAD (0.58 mL, 3.0 mmol). After 10 min, the reaction mixture was warmed to room temperature, stirred for 3 days, and diluted with water and EtOAc. The mixture was partitioned, and the aqueous layer was extracted with EtOAc (2X). The organic layer was washed with water, dried over sodium sulfate, filtered, and concentrated. The residue was purified on silica gel eluting with a 0%-50% EtOAc-hexanes gradient to give the title compound (228 mg, 30%). 1H NMR (400 MHz, CD3SOCD3) delta 2.32- 2.41 (m, 2 H), 2.64-2.70 (m, 2 H), 3.15-3.20 (m, 1 H), 3.32 (s, 3 H), 4.84-4.90 (m, 1 H), 6.92- 6.99 (m, 2 H), 7.07 (t, J = 76 Hz, 1 H), 7.14-7.21 (m, 2 H); LC-MS (LC-ES) peak at T = 0.85 mm.

Reference： [1]Patent: WO2018/69863,2018,A1 .Location in patent: Page/Page column 228

10
[ 6272-38-4 ]
[ 53104-96-4 ]

Reference： [1]Patent: WO2018/69863,2018,A1

11
[ 120-80-9 ]
[ 53104-96-4 ]

Reference： [1]Patent: WO2018/69863,2018,A1

12
1-(benzyloxy)-2-(difluoromethoxy)benzene [ No CAS ]
[ 53104-96-4 ]

Yield	Reaction Conditions	Operation in experiment
86%	With palladium on activated charcoal; hydrogen; In ethanol; for 14.0h;	To a stirred solution of 1 -(benzyloxy)-2-(difluoromethoxy)benzene (Intermediate 1 16B) (1 .53 g, 6.1 1 mmol) in ethanol (15 mL) under a nitrogen atmosphere was added Pd/C (200 mg, 1 .88 mmol). The reaction vessel was degassed, fitted with a hydrogen filled balloon and stirred 14 h under a hydrogen atmosphere. The mixture was filtered through a pad of Celite, washing with DCM. The filtrate was concentrated to give the crude title compound (194 mg, 86%), which was used without further purification. LC-MS (LC-ES) M-H = 159.

Reference： [1]Patent: WO2018/69863,2018,A1 .Location in patent: Page/Page column 227-228

13
[ 53104-96-4 ]
(trans)-3-(2-(difluoromethoxy)phenoxy)cyclobutanecarboxylic acid [ No CAS ]

Reference： [1]Patent: WO2018/69863,2018,A1

14
[ 53104-96-4 ]
(trans)-3-(2-(difluoromethoxy)phenoxy)-N-((trans)-4-(2-hydroxypropan-2-yl)cyclohexyl)cyclobutanecarboxamide [ No CAS ]

Reference： [1]Patent: WO2018/69863,2018,A1

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 53104-96-4 ]

Fluorinated Building Blocks

[ 32858-93-8 ]

2-(Trifluorormethoxy)phenol

Similarity: 0.94

[ 87789-47-7 ]

4-(Difluoromethoxy)phenol

Similarity: 0.94

[ 458-92-4 ]

(Difluoromethoxy)benzene

Similarity: 0.94

[ 710-18-9 ]

1-Methoxy-4-(trifluoromethoxy)benzene

Similarity: 0.89

[ 456-55-3 ]

(Trifluoromethoxy)benzene

Similarity: 0.89

Aryls

[ 32858-93-8 ]

2-(Trifluorormethoxy)phenol

Similarity: 0.94

[ 87789-47-7 ]

4-(Difluoromethoxy)phenol

Similarity: 0.94

[ 458-92-4 ]

(Difluoromethoxy)benzene

Similarity: 0.94

[ 710-18-9 ]

1-Methoxy-4-(trifluoromethoxy)benzene

Similarity: 0.89

[ 456-55-3 ]

(Trifluoromethoxy)benzene

Similarity: 0.89

Ethers

[ 32858-93-8 ]

2-(Trifluorormethoxy)phenol

Similarity: 0.94

[ 87789-47-7 ]

4-(Difluoromethoxy)phenol

Similarity: 0.94

[ 458-92-4 ]

(Difluoromethoxy)benzene

Similarity: 0.94

[ 710-18-9 ]

1-Methoxy-4-(trifluoromethoxy)benzene

Similarity: 0.89

[ 456-55-3 ]

(Trifluoromethoxy)benzene

Similarity: 0.89

Difluoromethyls

[ 87789-47-7 ]

4-(Difluoromethoxy)phenol

Similarity: 0.94

[ 458-92-4 ]

(Difluoromethoxy)benzene

Similarity: 0.94

[ 712-79-8 ]

2-(Difluoromethoxy)naphthalene

Similarity: 0.74

[ 5905-69-1 ]

1-Bromo-4-(difluoromethoxy)benzene

Similarity: 0.74

[ 262587-05-3 ]

1-Bromo-3-(difluoromethoxy)benzene

Similarity: 0.73

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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

[ CAS No. 53104-96-4 ] {[proInfo.proName]}

Quality Control of [ 53104-96-4 ]

Related Doc. of [ 53104-96-4 ]

Product Details of [ 53104-96-4 ]

Calculated chemistry of [ 53104-96-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 53104-96-4 ]

Application In Synthesis of [ 53104-96-4 ]

[ 53104-96-4 ] Synthesis Path-Upstream 1~3

[ 53104-96-4 ] Synthesis Path-Downstream 1~14

Related Functional Groups of [ 53104-96-4 ]

Fluorinated Building Blocks

Aryls

Ethers

Difluoromethyls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 53104-96-4 ]