3-Cyano-4-fluorobenzyl bromide
- CAS No.
- 180302-35-6
- Chemical Name:
- 3-Cyano-4-fluorobenzyl bromide
- Synonyms
- 5-(BroMoMethyl)-2-fluorobenzonitrile;3-cyano-4-fluorobromobenzyl;3-Cyano-4-fluorobenzyl bromide;Benzonitrile, 5-(bromomethyl)-2-fluoro-;3-Cyano-4-fluorobenzyl bromide, alpha-Bromo-6-fluoro-m-tolunitrile
- CBNumber:
- CB3358029
- Molecular Formula:
- C8H5BrFN
- Molecular Weight:
- 214.03
- MDL Number:
- MFCD03094341
- MOL File:
- Mol file
- MSDS File:
- SDS
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|---|---|
| Signal word | Danger |
| Hazard statements | H302+H312-H314 |
| Precautionary statements | P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501 |
| Hazard Codes | C,Xn |
| Risk Statements | 22 |
| Hazard Note | Corrosive/Lachrymatory |
| HS Code | 2926907090 |
3-Cyano-4-fluorobenzyl bromide price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Usbiological | 269324 | 3-Cyano-4-fluorobenzyl bromide Asreported | 180302-35-6 | 100mg | $380 | 2026-06-03 | Buy |
| Usbiological | 269324 | 3-Cyano-4-fluorobenzyl bromide Asreported | 180302-35-6 | 250mg | $531 | 2026-06-03 | Buy |
| Usbiological | 269324 | 3-Cyano-4-fluorobenzyl bromide Asreported | 180302-35-6 | 500mg | $729 | 2026-06-03 | Buy |
| Usbiological | 269324 | 3-Cyano-4-fluorobenzyl bromide Asreported | 180302-35-6 | 1g | $1008 | 2026-06-03 | Buy |
| AstaTech | 52498 | 5-(BROMOMETHYL)-2-FLUOROBENZONITRILE 95% | 180302-35-6 | 1G | $17 | 2026-04-30 | Buy |
3-Cyano-4-fluorobenzyl bromide Chemical Properties, Uses, Production
Uses
3-CYANO-4-FLUOROBENZYL BROMIDE is used in the synthetic preparations of thrombin inhibitors.
Synthesis
64113-84-4
180302-35-6
General procedure for the synthesis of 2-fluoro-5-(bromomethyl)benzonitrile from 2-fluoro-5-methylbenzonitrile: 2-fluoro-5-methylbenzonitrile (3.00 g, 22 mmol), N-bromosuccinimide (4.12 g, 23 mmol), and benzoyl peroxide (1.07 g, 4.4 mmol) were dissolved in carbon tetrachloride (100 mL) and heated to reflux for 6 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently mixed with water. The organic phase was separated, dried with anhydrous magnesium sulfate and filtered through diatomaceous earth (Celite). The filtrate was concentrated under reduced pressure and purified by fast column chromatography (n-hexane/ethyl acetate, 20:1) to afford 5-(bromomethyl)-2-fluorobenzonitrile (1.58 g, 33% yield) as an oil.1H NMR (CDCl3, 400 MHz) data were as follows: δ 4.45 (s, 2H), 7.21 (m, 1H), 7.65 (m, 2H).
References
[1] Journal of Medicinal Chemistry, 2016, vol. 59, # 20, p. 9422 - 9430
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 20, p. 2925 - 2930
[3] Helvetica Chimica Acta, 2017, vol. 100, # 12,
[4] Patent: WO2010/93845, 2010, A1. Location in patent: Page/Page column 86
[5] Bioorganic and Medicinal Chemistry Letters, 1998, vol. 8, # 7, p. 715 - 720
3-Cyano-4-fluorobenzyl bromide Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Yolne Chemical Co., Ltd. | 021-62960152 | 934678158@qq.com | China | 9886 | 55 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Shanghai Worldyang Chemical Co.,Ltd. | 021-56795766 | sales@worldyachem.com | China | 9475 | 58 |
| ShangHai AmK Pharmaceutical Technology Co., Ltd. | 微信 18019252918 18019252918 | sale@amkchem.com | China | 14982 | 55 |
| Tianjin Anhao Biological Technology Co., Ltd. | sales@ahpharmatech.com | China | 5734 | 55 | |
| Cool Pharm, Ltd | 021-60455363 18019463053 | sales@coolpharm.com | China | 8455 | 58 |
