ChemicalBook--->CAS DataBase List--->823-54-1

823-54-1

823-54-1 Structure

823-54-1 Structure
IdentificationBack Directory
[Name]

3-BROMO-4-CHLOROANILINE
[CAS]

823-54-1
[Synonyms]

3-BROMO-4-CHLOROANILINE
3-Bromo-4-chlorobenzenamine
3-Bromo-4-chlorophenylamine
3-Bromo-4-chloroaniline >
BenzenaMine,3-broMo-4-chloro-
[Molecular Formula]

C6H5BrClN
[MDL Number]

MFCD00173905
[MOL File]

823-54-1.mol
[Molecular Weight]

206.468
Chemical PropertiesBack Directory
[Melting point ]

82°C
[Boiling point ]

290.6±20.0℃ (760 Torr)
[density ]

1.722±0.06 g/cm3 (20 ºC 760 Torr)
[Fp ]

129.5±21.8℃
[storage temp. ]

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

powder to crystal
[pka]

2.89±0.10(Predicted)
[color ]

White to Brown
Safety DataBack Directory
[Risk Statements ]

20/21/22-33
[Safety Statements ]

36/37
[RIDADR ]

2811
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

29214200
Hazard InformationBack Directory
[Description]

3-Bromo-4-chloroaniline can be used as an intermediate in pharmaceutical synthesis, such as the preparation of Vismodegib, the trade name is Erivedge, the chemical name is 2-chloro-N-(4-chloro-3 -(Pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide, developed by Curis, Genentech and Evotec in cooperation, was approved by the U.S. Food and Drug Administration (FDA) on January 30, 2012 ) marketing approval as a small molecule targeted inhibitor of the Hedgehog pathway for the treatment of basal cell carcinoma.

[Uses]

3-Bromo-4-chloroaniline is an amine derivative and can be used as an organic reagent.
[Synthesis]

Dissolve p-chloronitrobenzene in sulfuric acid aqueous solution, slowly add bromine reagent (bromine or potassium bromate), and react to obtain 3-bromo-4-chloroaniline.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-4-CHLOROANILINE(823-54-1)FT-IR
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