[ CAS No. 1189042-70-3 ]

Name: 1189042-70-3|2-(2-Fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|95%
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Quality Control of [ 1189042-70-3 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 1189042-70-3 ]

CAS No. :	1189042-70-3	MDL No. :	MFCD15143593
Formula :	C₁₂H₁₅BFNO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	267.06 g/mol	Pubchem ID :	51034464
Synonyms :

Calculated chemistry of of [ 1189042-70-3 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	71.7
TPSA :	64.28 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.84
Log Po/w (WLOGP) :	2.45
Log Po/w (MLOGP) :	1.05
Log Po/w (SILICOS-IT) :	0.09
Consensus Log Po/w :	1.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.39
Solubility :	0.11 mg/ml ; 0.000411 mol/l
Class :	Soluble
Log S (Ali) :	-3.85
Solubility :	0.0379 mg/ml ; 0.000142 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.66
Solubility :	0.0587 mg/ml ; 0.00022 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.09

Safety of [ 1189042-70-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1189042-70-3 ]

* 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 [ 1189042-70-3 ]

[ 1189042-70-3 ] Synthesis Path-Downstream 1~9

1
[ 1189042-70-3 ]
[ 2042-37-7 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine In tetrahydrofuran; 1,4-dioxane at 20 - 50℃; for 1.5h;

Reference： [1]Goodacre, Simon C.; Street, Leslie J.; Hallett, David J.; Crawforth, James M.; Kelly, Sarah; Owens, Andrew P.; Blackaby, Wesley P.; Lewis, Richard T.; Stanley, Joanna; Smith, Alison J.; Ferris, Pushpinder; Sohal, Bindi; Cook, Susan M.; Pike, Andrew; Brown, Nicola; Wafford, Keith A.; Marshall, George; Castro, José L.; Atack, John R. [Journal of Medicinal Chemistry, 2006, vol. 49, # 1, p. 35 - 38]

2
[ 58534-94-4 ]
[ 73183-34-3 ]
2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
488 mg	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 90℃; for 16h;Inert atmosphere; Sealed tube;	Step A: Synthesis of 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane Compound l-bromo-2-fluoro-3 -nitrobenzene (440 mg) was dissolved in 10 mL of dry 1,4-dioxane. To this was added potassium acetate, followed by bis(pinacolato)diboron (759 mg). Nitrogen was bubbled through the reaction vessel for 1 min and PdCl2(dppf) (164 mg) was added. The reaction mixture was sealed and heated to 90 C for 16 h, then cooled to room temperature and poured into water and extracted with ethyl acetate three times. The combined organic layers were dried over sodium sulfate, filtered and concentrated under vacuum to give the title compound (488 mg). NMR (300 MHz, CDC13): delta 1.37 (s, 12H), 7.27 (m, 1H), 7.99 (m, 1H), 8.09 (m, 1H).
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80℃; for 16h;Inert atmosphere;	General Procedure Synthesis of (41a) To a mixture of <strong>[58534-94-4]1-bromo-2-fluoro-3-nitrobenzene</strong> (1.4 mmol) in dioxane (10 mL) was added 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (1.5 eq) and KOAc (2 eq), and Pd(dppf)Cl2 (0.1 eq). The mixture was degassed and purged with N2 for 3 times. The mixture was stirred at 80 C. for 16 hours and was poured into water and extracted with ethyl acetate 3 times. The combined organic layers were washed with brine, dried with anhydrous Na2SO4, filtered and concentrated in vacuo. The residue was purified by column chromatography (SiO2, Petroleum ether/Ethyl acetate=15:1 to 10:1) to give 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (41a). 1H NMR (400 MHz, DMSO) delta 13.47 (br s, 1H), 8.03-6.96 (m, 4H), 2.20 (s, 3H), 1.94-1.77 (m, 1H), 0.80 (br s, 2H), 0.70 (br s, 2H).

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 35 - 38
[2]Patent: WO2014/135095,2014,A1 .Location in patent: Page/Page column 96; 97
[3]Patent: US2019/315767,2019,A1 .Location in patent: Paragraph 0520; 0521; 0576; 0577

3
2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]
[ 1231892-80-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;palladium 10% on activated carbon; In ethyl acetate; under 760.051 Torr; for 16h;	[00202] Intermediate. 2-fluoro-3-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2- yl) aniline:[00203] A mixture of Intermediate 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (500 mg), 10% palladium on carbon (50 mg) and ethyl acetate (20 ml) was stirred under 1 atmosphere of hydrogen for 16 h. The mixture was sparged with nitrogen and filtered. The filtrate was concentrated to provide the title compound, which was used without further purification. MS m/z 237.1 (M + 1).

Reference： [1]Patent: WO2011/25927,2011,A1 .Location in patent: Page/Page column 53

4
2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]
[ 96424-68-9 ]
[ 1386460-42-9 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In 1,4-dioxane; water; at 120℃; for 1h;microwave irradiation;	To a solution of <strong>[96424-68-9]2-bromo-3-chloropyridine</strong> [96424-68-9] (144 mg, 0.75 mmol) and 2-fluoro-3- nitrophenylboronic acid pinacol ester [1 189042-70-3] (200 mg, 0.75 mmol) in dioxane (4 mL) and water (1 mL) was added potassium carbonate (259 mg, 1.87 mmol) and Pd(dppf)CI2 CH2CI2 adduct (61.2 mg, 0.075 mmol). The solution was heated for 60 min at 120C under microwave irradiation. The reaction mixture was diluted with EtOAc and the resulting solution was washed successively with saturated aqueous NaHC03 solution and brine, then dried (Phase separator) and concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel (c-hexane/EtOAc 4:1) to give the title compound. MS (LC-MS): 253 [M+H]+; tR (HPLC conditions k): 3.45 min.

Reference： [1]Patent: WO2012/93101,2012,A1 .Location in patent: Page/Page column 263

5
[ 1189042-70-3 ]
[ 1627497-14-6 ]
[ 1627497-16-8 ]

Yield	Reaction Conditions	Operation in experiment
400 mg	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,2-dimethoxyethane; water for 1h; Reflux; Inert atmosphere;	B Step B: Synthesis of 2-(3,5-dichlorophenyl)-5-(2-fluoro-3-nitrophenyl)-2-(trifluoromethyl)-2,3- dihydrobenzofuran Step B: Synthesis of 2-(3,5-dichlorophenyl)-5-(2-fluoro-3-nitrophenyl)-2-(trifluoromethyl)-2,3- dihydrobenzofuran Under the protection of nitrogen, compound 2-(3,5-dichlorophenyl)-5-iodo-2- (trifluoromethyl)-2,3-dihydrobenzofuran (458 mg), PdCl2(dppf) (80 mg), potassium carbonate (414 mg) and compound 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane (400 mg) were dissolved in 20 mL of DME and 10 mL of H20. After the addition, the mixture was refluxed for 1 h. Then, it was filtered through silica gel, and concentrated under vacuum. The residue was purified by column chromatography on silica gel to give the title compound (400 mg). NMR (300 MHz, OMSO-d6): δ 3.92 (d, 1H), 4.10 (d, 1H), 7.27 (d, 1H), 7.45-7.52 (m, 3H), 7.73 (s, 2H), 7.78 (s, 1H), 7.86 (t, 1H), 8.10 (t, 1H

Reference： [1]Current Patent Assignee: SINOCHEM HOLDINGS CORPORATION LTD; Syngenta (in: Sinochem Holdings) - WO2014/135095, 2014, A1 Location in patent: Page/Page column 97

6
[ 1189042-70-3 ]
[ 24424-99-5 ]
[ 2302-25-2 ]
[ 2378639-13-3 ]

Yield	Reaction Conditions	Operation in experiment
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In 1,4-dioxane at 25 - 80℃; for 16h; Inert atmosphere;	S.26 Synthesis of (41b) Synthesis of (41b) To a mixture of 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (41a) (0.86 mmol) and 5-bromo-1H-imidazole (1.5 eq) in dioxane (10 mL) was added Pd(dppf)Cl2.CH2Cl2 (0.1 eq), (Boc)2O (2 eq) and KOAc (3 eq) at 25° C. under N2. The mixture was stirred at 80° C. for 16 hours. LC-MS showed desired MS was detected. The residue was poured into water and the mixture was extracted with ethyl acetate. The organic phase was washed with brine, dried with anhydrous Na2SO4, filtered and concentrated in vacuo. The residue was purified by prep-TLC (SiO2, Petroleum ether:Ethyl acetate=3:1) to give tert-butyl 5-(2-fluoro-3-nitrophenyl)-1H-imidazole-1-carboxylate (41b). MS mass calculated for [M+1]+ (C14H14FN3O4) requires m/z 306.1, LCMS found m/z 207.9.

Reference： [1]Current Patent Assignee: TERNS PHARMACEUTICALS INC - US2019/315767, 2019, A1 Location in patent: Paragraph 0520; 0522

7
2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]
[ 15813-08-8 ]
[ 24424-99-5 ]
tert-butyl 5-(2-fluoro-3-nitrophenyl)-4-methyl-1H-imidazole-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,4-dioxane; at 25 - 110℃; for 12.0h;Inert atmosphere;	Tert-butyl 5-(2-fluoro-3-nitrophenyl)-4-methyl-1H-imidazole-1-carboxylate (51b) To a mixture of <strong>[15813-08-8]5-bromo-4-methyl-1H-imidazole</strong> (200 mg, 1.24 mmol), 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (663.51 mg, 2.48 mmol) (51a) and Boc2O (1.08 g, 4.97 mmol, 1.14 mL) in 1,4-dioxane (10 mL) was added Pd(dppf)Cl2-CH2Cl2 (101.45 mg, 124.22 umol) and K2CO3 (343.37 mg, 2.48 mmol) at 25 C. under N2. The mixture was stirred at 110 C. for 12 hours. The reaction mixture was filtered and the filtrate was concentrated in vacuo. The residue was diluted with H2O (10 mL) and extracted with ethyl acetate (10 mL). The organic layer was washed with brine (8 mL*2), dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude product was purified by prep-TLC (SiO2, DCM:MeOH=10:1) to give tert-butyl 5-(2-fluoro-3-nitrophenyl)-4-methyl-1H-imidazole-1-carboxylate (51b). 1H NMR (400 MHz, CHLOROFORM-d) delta=8.21-8.13 (m, 1H), 8.06-7.98 (m, 1H), 7.89-7.81 (m, 1H), 7.40-7.29 (m, 1H), 2.51-2.41 (m, 3H), 1.66 (s, 9H).

Reference： [1]Patent: US2019/315767,2019,A1 .Location in patent: Paragraph 0576; 0578

8
[ 1189042-70-3 ]
[ 211615-67-7 ]
[ 2378640-39-0 ]

Yield	Reaction Conditions	Operation in experiment
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate In 1,4-dioxane at 90℃; for 16h; Inert atmosphere;	S.42 4-bromo-5-(2-fluoro-3-nitrophenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole (74a) 4-bromo-5-(2-fluoro-3-nitrophenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole (74a) To a mixture of 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (51a) (476.94 mg, 1.79 mmol) and 4,5-dibromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole (530 mg, 1.49 mmol) in dioxane (12 mL) was added K2CO3 (617.06 mg, 4.46 mmol) and Pd(dppf)Cl2 CH2Cl2 (121.53 mg, 148.82 umol) under N2. The mixture was stirred at 90° C. for 16 hours. The reaction mixture was concentrated under reduced pressure to remove most of the dioxane, the residue was poured into water (10 mL) and extracted with ethyl acetate (20 mL3). The combined organic layers were washed with brine (15 mL2), and dried with anhydrous Na2SO4, filtered and concentrated in vacuo. The residue was purified by column chromatography (SiO2, Petroleum ether:Ethyl acetate=50:1 to 5:1) to give 74a. MS mass calculated for [M+1]+ (C15H19BrFN3O3Si) requires m/z, 415.1/417.1, LCMS found m/z 416.1/418.1.

Reference： [1]Current Patent Assignee: TERNS PHARMACEUTICALS INC - US2019/315767, 2019, A1 Location in patent: Paragraph 0640; 0641

9
[ 1189042-70-3 ]
[ 2824166-29-0 ]
[ 2824166-31-4 ]

Yield	Reaction Conditions	Operation in experiment
2.3 g	Stage #1: 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; tert-butyl ((3-bromo-1-methyl-1H-pyrazol-4-yl)methyl)(methyl-d3)carbamate With potassium fluoride In tetrahydrofuran for 0.25h; Inert atmosphere; Stage #2: With dicyclohexyl({2’,6’-dimethoxy-[1,1‘-biphenyl]-2-yl})phosphane; palladium diacetate In tetrahydrofuran at 70℃; for 16h; Inert atmosphere; Sealed tube;	8.4 Step-4: tert-butyl ((3-(2-fluoro-3-nitrophenyl)-l-methyl-lH-pyrazol-4-yl)methyl)(methyl-d3)carbamate (I-8e) Argon gas was purged through a stirred suspension of I-8d (2.5 g, 8.14 mmol), 2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane (3.26 g, 12.2 mmol) and KF (1.42 g, 24.4 mmol) in THF (40.0 mL) for 15 min. To this was then added Pd(OAc)2 (0.0914 g, 0.407 mmol) and dicyclohexyl({2',6'-dimethoxy-[l,l'-biphenyl]-2-yl})phosphane (0.334 g, 0.814 mmol). The reaction mixture was then stirred at 70 °C for 16 h in a sealed tube. It was then cooled to room temperature, filtered through celite bed and washed with EtOAc (50 mL x 2). The combined filtrate was concentrated under reduced pressure and the residue was purified by Combi-Flash (using gradient elution of 0-30% EtOAc in hexane) to afford tert-butyl ((3-(2-fluoro-3-nitrophenyl)-l-methyl-lH-pyrazol-4-yl)methyl)(methyl-d3)carbamate I-8e (2.3 g) as a yellow oil. LCMS (ES) m/z 368.2 [M+H]+.

Reference： [1]Current Patent Assignee: SUDO BIOSCIENCES - WO2022/175752, 2022, A1 Location in patent: Paragraph 00359

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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
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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. 1189042-70-3 ]

Quality Control of [ 1189042-70-3 ]

Related Doc. of [ 1189042-70-3 ]

Product Details of [ 1189042-70-3 ]

Calculated chemistry of of [ 1189042-70-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1189042-70-3 ]

Application In Synthesis of [ 1189042-70-3 ]

[ 1189042-70-3 ] Synthesis Path-Downstream 1~9

Related Functional Groups of [ 1189042-70-3 ]

Fluorinated Building Blocks

Nitroes

Organoboron

Aryls

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1189042-70-3 ]