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ChemicalBook--->CAS DataBase List--->703-91-3

703-91-3

703-91-3 Structure

703-91-3 Structure
IdentificationBack Directory
[Name]

5-Bromo-2-(trifluoromethyl)aniline
[CAS]

703-91-3
[Synonyms]

5-Bromo-2-(trifluoro
2-AMino-4-broMobenzotrifluoride
5-BROMO-O-(TRIFLUOROMETHYL)ANILINE
5-BROMO-2-(TRIFLUOROMETHYL)ANILINE
2-Amino-4-bromobenzotrifluoride 98%
5-BroMo-2-trifluoroMethyl-phenylaMine
Benzenamine, 5-bromo-2-(trifluoromethyl)-
5-Bromo-2-(trifluoromethyl)aniline, 5-Bromo-alpha,alpha,alpha-trifluoro-o-toluidine
[Molecular Formula]

C7H5BrF3N
[MDL Number]

MFCD00082853
[MOL File]

703-91-3.mol
[Molecular Weight]

240.02
Chemical PropertiesBack Directory
[Boiling point ]

84-86 °C(Press: 5 Torr)
[density ]

1.712 g/cm3(Temp: 25 °C)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

0.39±0.10(Predicted)
[Appearance]

Pale purple to purple Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2921430090
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-(trifluoromethyl)aniline(703-91-3)1HNMR
5-Bromo-2-(trifluoromethyl)aniline(703-91-3)19FNMR
Hazard InformationBack Directory
[Synthesis]

4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE

251115-21-6

5-Bromo-2-(trifluoromethyl)aniline

703-91-3

General procedure for the synthesis of 5-bromo-2-(trifluoromethyl)aniline from 4-bromo-2-nitro-trifluoromethylbenzene: to a suspension of 4-bromo-2-nitro-1-(trifluoromethyl)benzene (4.0 g, 14.9 mmol) in ethanol (230 mL), THF (85 mL), and water (40 mL), ammonium chloride (1.0 g, 18.8 mmol) and iron powder (5.06 g, 90 mmol). The reaction mixture was heated at 80 °C for 1 h and the progress of the reaction was monitored by thin layer chromatography (TLC). After complete consumption of starting materials, the reaction mixture was filtered while hot. The filtrate was concentrated under reduced pressure and the crude product was dissolved in ethyl acetate (100 mL) and washed with water (3 x 50 mL). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 5-bromo-2-(trifluoromethyl)aniline as a solid (3.2 g, 90% yield).

[References]

[1] Patent: WO2010/91310, 2010, A1. Location in patent: Page/Page column 100
[2] Patent: WO2014/149164, 2014, A1. Location in patent: Paragraph 00763; 00895
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