ChemicalBook--->CAS DataBase List--->57946-63-1

57946-63-1

57946-63-1 Structure

57946-63-1 Structure
IdentificationMore
[Name]

4-Amino-3-bromobenzotrifluoride
[CAS]

57946-63-1
[Synonyms]

2-BROMO-4-(TRIFLUOROMETHYL)ANILINE
2-BROMO-4-TRIFLUOROMETHYL-PHENYLAMINE
3-BROMO-4-AMINO BENZOTRIFLUORIDE
4-AMINO-3-BROMOBENZOTRIFLUORIDE
BUTTPARK 44\03-51
TIMTEC-BB SBB000789
4-Amino-3-bromobenzotrifluoride,95% (2_Bromo-4-trifluoromethylaniline)
4-Amino-3-bromobenzotrifluoride 98%
4-Amino-3-bromobenzotrifluoride98%
2-Bromo-4-trifluoromethylbenzenamine
4-(Trifluoromethyl)-2-bromoaniline
[EINECS(EC#)]

261-035-7
[Molecular Formula]

C7H5BrF3N
[MDL Number]

MFCD00042150
[Molecular Weight]

240.02
[MOL File]

57946-63-1.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals
[Melting point ]

26-28°C
[Boiling point ]

109-110 °C10 mm Hg(lit.)
[density ]

1,7 g/cm3
[refractive index ]

n20/D 1.524(lit.)
[Fp ]

110 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystals
[pka]

0.70±0.10(Predicted)
[color ]

White
[BRN ]

8139978
[InChI]

InChI=1S/C7H5BrF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
[InChIKey]

QKRJIXSZTKOFTD-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(C(F)(F)F)C=C1Br
[CAS DataBase Reference]

57946-63-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 2-bromo-4-(trifluoromethyl)-(57946-63-1)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29214990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Amino-3-bromobenzotrifluoride(57946-63-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystals
[Uses]

2-Bromo-4-(trifluoromethyl)aniline is mainly used as a raw material for organic synthesis or a reagent for chemical reactions, and can be used to prepare 2-Amino-5-trifluoromethylbenzonitrile and 2-Bromo-1-nitro-4-(trifluoromethyl) benzene among other organic heterocyclic compounds.
[Synthesis]

2-Bromo-4-(trifluoromethyl)aniline is prepared by reacting 4-(trifluoromethyl)aniline with N-bromosuccinimide in dichloromethane. The following is the reaction procedure:
Add 200 mL of distilled CH2Cl 2 and 4- (trifluoromethyl) aniline (20 g, 124.13 mmol) to a two neck flask. Slowly dropwise N-bromosuccinimide (24.3 g, 136.5 mmol) dissolved in CH2Cl2. When the reaction is complete, extract with CH2Cl2. Purification by column separation (EA: Hx = 1: 4) (yield: 50percent)
2-Bromo-4-(trifluoromethyl)aniline synthesis
[References]

[1] Journal of Organic Chemistry, 2018, vol. 83, # 2, p. 930 - 938
[2] Patent: KR2018/50795, 2018, A. Location in patent: Paragraph 0086; 0087; 0104-0106
[3] Patent: US3946025, 1976, A
[4] Chinese Journal of Chemistry, 2018, vol. 36, # 9, p. 815 - 818
[5] Patent: US3995042, 1976, A
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-4-(trifluoromethyl)aniline(57946-63-1)MS
2-Bromo-4-(trifluoromethyl)aniline(57946-63-1)1HNMR
2-Bromo-4-(trifluoromethyl)aniline(57946-63-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Amino-3-bromobenzotrifluoride, 99%(57946-63-1)
[Alfa Aesar]

2-Bromo-4-(trifluoromethyl)aniline, 97%(57946-63-1)
[Sigma Aldrich]

57946-63-1(sigmaaldrich)
[TCI AMERICA]

4-Amino-3-bromobenzotrifluoride,>98.0%(GC)(57946-63-1)
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