| Identification | Back 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 Properties | Back 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 | [InChI]
1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 | [InChIKey]
FVZODFVCIDBDGS-UHFFFAOYSA-N | [SMILES]
NC1=CC=C(C(Br)=C1)Cl |
| Safety Data | Back Directory | [Risk Statements ]
20/21/22-33 | [Safety Statements ]
36/37 | [RIDADR ]
2811 | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
29214200 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back 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. | [References]
[1] Patent: WO2005/103010, 2005, A2. Location in patent: Page/Page column 37-38
[2] Patent: WO2014/74422, 2014, A1. Location in patent: Paragraph 00183
[3] Organic Letters, 2016, vol. 18, # 11, p. 2774 - 2776
[4] Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1984, vol. 38, # 10, p. 877 - 884
[5] American Chemical Journal, 1899, vol. 22, p. 247 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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