ChemicalBook--->CAS DataBase List--->54962-75-3

54962-75-3

54962-75-3 Structure

54962-75-3 Structure
IdentificationMore
[Name]

3-Amino-5-bromobenzotrifluoride
[CAS]

54962-75-3
[Synonyms]

3-AMINO-5-BROMOBENZOTRIFLUORIDE
3-AMINO-5-BROMO(TRIFLUOROMETHYL)BENZENE
3-BROMO-5-(TRIFLUOROMETHYL)ANILINE
3-BROMO-5-TRIFLUOROMETHYL-PHENYLAMINE
3-Bromo-5-TrifluoromethylBenzenamine
3-Amino-5-bromobenzotrifluoride,98%
3-Amino-5-bromobenzotrifluoride 98%
[EINECS(EC#)]

259-412-6
[Molecular Formula]

C7H5BrF3N
[MDL Number]

MFCD00236205
[Molecular Weight]

240.02
[MOL File]

54962-75-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

220-223 °C (lit.)
[density ]

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

n20/D 1.528(lit.)
[Fp ]

>230 °F
[storage temp. ]

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

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

2.30±0.10(Predicted)
[color ]

Colorless to yellow
[InChI]

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

HJTLKVYOWNTDPF-UHFFFAOYSA-N
[SMILES]

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

54962-75-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29214300
Hazard InformationBack Directory
[Description]

3-Amino-5-bromobenzotrifluoride(54962-75-3) is an organic synthetic reagent or pharmaceutical intermediate component used in the synthesis of other organic compounds such as 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, fluorinated 2-benzylphthalazine-1 (2H)-one, 1-phthalazinamine and 1-alkoxy/benzyloxyphthalazine derivatives. It can also be used to prepare the targeted anti-cancer drug Nilotinib, which can be used to treat chronic granulocytic leukaemia (CML).
[Chemical Properties]

White solid
[Uses]

3-Amino-5-bromobenzotrifluoride(54962-75-3) may be used in the synthesis of 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-5-bromobenzotrifluoride(54962-75-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Bromo-5-(trifluoromethyl)aniline, 98%(54962-75-3)
[Sigma Aldrich]

54962-75-3(sigmaaldrich)
[TCI AMERICA]

3-Amino-5-bromobenzotrifluoride,>98.0%(GC)(54962-75-3)
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