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401-78-5

401-78-5 Structure

401-78-5 Structure
IdentificationMore
[Name]

3-Bromobenzotrifluoride
[CAS]

401-78-5
[Synonyms]

1-BROMO-3-(TRIFLUOROMETHYL)BENZENE
3-BROMO-1-TRIFLUOROMETHYLBENZENE
3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-BROMOBENZOTRIFLUORIDE
3-BROMOTRIFLUOROTOLUENE
3-TRIFLUOROMETHYL PHENYL BROMIDE
M-BROMO-A,A,A-TRIFLUOROTOLUENE
M-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
M-BROMOBENZOTRIFLUORIDE
M-BROMOTRIFLUOROTOLUENE
1-bromo-3-(trifluoromethyl)-benzen
3-(Trifluoromethyl)bromobenzene
3-Brombenzotrifluorid
3-Bromobenzonitrifluoride
3-Bromobenzyltrifluoride
3-Bromotrifluoromethylbenzene
alpha,alpha,alpha-trifluoro-3-bromo-toluen
m-(Trifluoromethyl)bromobenzene
m-(Trifluoromethyl)phenyl bromide
m-(trifluoromethyl)phenylbromide
[EINECS(EC#)]

206-932-6
[Molecular Formula]

C7H4BrF3
[MDL Number]

MFCD00000380
[Molecular Weight]

225.01
[MOL File]

401-78-5.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Melting point ]

1°C
[Boiling point ]

151-152 °C(lit.)
[density ]

1.613 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

110 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.613
[BRN ]

1449557
[InChI]

InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
[InChIKey]

NNMBNYHMJRJUBC-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=CC(C(F)(F)F)=C1
[CAS DataBase Reference]

401-78-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-3-(trifluoromethyl)-(401-78-5)
[EPA Substance Registry System]

401-78-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

XS7970000
[Hazard Note ]

Flammable
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29036990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromine-->Cuprous bromide-->Benzotrifluoride-->3-Aminobenzotrifluoride
[Preparation Products]

Fenfluramine-->1-Benzyl-4-hydroxy-4-(3-trifluorotolyl)piperidinol-->4-(3-Trifuoromethyl)phenyl-4-piperidinol-->3-(3-(Trifluoromethyl)phenyl)propan-1-ol-->2-Amino-5-bromobenzotrifluoride-->3-Oxo-3-(3-trifluoromethylphenyl)propionic acid ethyl ester-->Methyl 3-(trifluoromethyl)phenylacetate-->3,3'-Bis(trifluoromethyl)benzophenone-->3-(trifluoromethyl) Cinnamaldehyde-->3-Trifluoromethylphenylboronic acid, pinacol ester-->N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propanaMide-->5-Bromo-2-iodobenzotrifluoride-->3-(3-Trifluoromethyl-phenyl)-propionic acid ethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Bromotrifluorotoluene(401-78-5).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Uses]

1-Bromo-3-(trifluoromethyl)benzene is used in the synthesis of calcium channel inhibitors for inflammatory and neuropathic pain.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromobenzotrifluoride(401-78-5)MS
3-Bromobenzotrifluoride(401-78-5)1HNMR
3-Bromobenzotrifluoride(401-78-5)13CNMR
3-Bromobenzotrifluoride(401-78-5)IR1
3-Bromobenzotrifluoride(401-78-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromobenzotrifluoride, 99%(401-78-5)
[Alfa Aesar]

3-Bromobenzotrifluoride, 98+%(401-78-5)
[Sigma Aldrich]

401-78-5(sigmaaldrich)
[TCI AMERICA]

3-Bromobenzotrifluoride,>99.0%(GC)(401-78-5)
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