| Identification | Back Directory | [Name]
Benzonitrile, 3-bromo-2-fluoro- (9CI) | [CAS]
840481-82-5 | [Synonyms]
3-Bromo-2-fluorobenzonitrile
1-Bromo-3-cyano-2-fluorobenzene
Benzonitrile, 3-broMo-2-fluoro-
3-BROMO-2-FLUOROBENZONITRILE 96%
Benzonitrile, 3-bromo-2-fluoro- (9CI)
KaiXinTianRui Technology Development Co., Ltd | [Molecular Formula]
C7H3BrFN | [MDL Number]
MFCD06657980 | [MOL File]
840481-82-5.mol | [Molecular Weight]
200.008 |
| Chemical Properties | Back Directory | [Melting point ]
37-40°C | [Boiling point ]
221.9±20.0 °C(Predicted) | [density ]
1.69±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
crystalline powder | [color ]
Very faint orange | [InChI]
InChI=1S/C7H3BrFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H | [InChIKey]
AMKVZJOQZLIOSL-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC(Br)=C1F | [CAS DataBase Reference]
840481-82-5 |
| Questions And Answer | Back Directory | [Uses]
3-Bromo-2-fluorobenzonitrile is an organic intermediate that can be prepared from 3-bromo-2-fluorobenzoic acid in two steps. 3-Bromo-2-fluorobenzonitrile can be used as a pharmaceutical intermediate in the preparation of STK4 inhibitors. |
| Hazard Information | Back Directory | [Synthesis]
To a N, N-dimethylformamide solution (10 mL) of 3-bromo-2- fluorobenzamide (867 mg) was added to cyanuric chloride (806 mg) under ice-cooling, and the mixture was stirred overnight at room temperature. The mixture was diluted with ethyl acetate, and the organic layer was washed with water and saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. Purification by silica gel column chromatography (hexane: ethyl acetate = 1:0 - 1:1) gave 3-Bromo-2-fluorobenzonitrile (760 mg, yield 96%) as colorless crystals. | [References]
[1] Patent: WO2008/156757, 2008, A1. Location in patent: Page/Page column 139
[2] Patent: WO2016/161145, 2016, A1. Location in patent: Paragraph 00753 |
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