3-Cyano-4-fluorobenzoic acid
- CAS No.
- 171050-06-9
- Chemical Name:
- 3-Cyano-4-fluorobenzoic acid
- Synonyms
- Artemether Impurity 11;4-Fluoro-3-cyanobenzoic acid;3-cyanobenzene carboxylic acid;5-Carboxy-2-fluorobenzonitrile;Benzoic acid, 3-cyano-4-fluoro-
- CBNumber:
- CB21456855
- Molecular Formula:
- C8H4FNO2
- Molecular Weight:
- 165.12
- MDL Number:
- MFCD03094339
- MOL File:
- 171050-06-9.mol
- MSDS File:
- SDS
| Melting point | 187-188 °C |
|---|---|
| Boiling point | 322.4±27.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.58±0.10(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12) |
| InChIKey | JMHGATOBRPWPBZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(F)C(C#N)=C1 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P280-P305+P351+P338 |
| HS Code | 2926907090 |
3-Cyano-4-fluorobenzoic acid price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Biosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 0.5g | $150 | 2026-06-04 | Buy |
| Biosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 1g | $190.49 | 2026-06-04 | Buy |
| Biosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 2g | $362.1 | 2026-06-04 | Buy |
| Biosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 5g | $761.85 | 2026-06-04 | Buy |
| Biosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 10g | $1600.2 | 2026-06-04 | Buy |
3-Cyano-4-fluorobenzoic acid Chemical Properties, Uses, Production
Synthesis
218301-22-5
171050-06-9
General procedure for the synthesis of 3-cyano-4-fluorobenzoic acid from 2-fluoro-5-formylbenzonitrile: 15.0 g (97.6 mmol) of 2-fluoro-5-formylbenzonitrile (Aldrich) was dissolved in a solvent mixture of 150 mL of water and 630 mL of tert-butanol under stirring conditions. Subsequently, 40.8 g (361 mmol) of sodium chlorite and 35.9 g (230 mmol) of disodium hydrogen phosphate dihydrate were added to this solution. The reaction mixture was stirred overnight at room temperature and poured into dilute aqueous hydrochloric acid solution and the pH was adjusted to 3.5. The pH was adjusted again to 3.5 with aqueous hydrochloric acid solution. the reaction solution was extracted three times with dichloromethane/isopropanol (10:1, v/v). The organic phases were combined, dried over anhydrous sodium sulfate and concentrated. The residue was purified by extraction with sodium bicarbonate solution and dichloromethane, acidification of the aqueous phase and filtration to afford the solid crude product 3-cyano-4-fluorobenzoic acid in 90% yield (14.5 g, 87.8 mmol), which could be used in the next reaction without further purification.MS-ESI: m/z 166 [M+H] (77). Elemental analysis: calculated values: C 58.19%, H 2.44%, F 11.51%, N 8.48%; measured values: C 58.81%, H 2.42%, F 11.41%, N 8.47%.
References
[1] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3540 - 3560
[2] Patent: EP1916003, 2008, A1. Location in patent: Page/Page column 18-19
[3] Patent: WO2008/28688, 2008, A2. Location in patent: Page/Page column 74-75; 86-87
[4] Journal of Medicinal Chemistry, 2004, vol. 47, # 6, p. 1339 - 1350
[5] Patent: WO2017/7634, 2017, A1. Location in patent: Paragraph 0772; 0873; 0774
3-Cyano-4-fluorobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Wuhan ariel chemical Co., LTD. | 18986259541 18986259541 | sales@3stc.com | China | 3829 | 58 |
| Wuhan Kaymke Chemical Co., Ltd., | 027-87342388 18086026008 | sales@kaymke.com | China | 3537 | 55 |
| Shanghai Amico Chemicals Co. LTD | 微信 18019252918 18019252918 | 1454668768@qq.com | China | 14933 | 58 |
| ShangHai Movin Pharmaceutical Co., Ltd. | 13681854265 | info@moenpharm.com | China | 488 | 55 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Nanjing Vital Chemical Co., Ltd. | Please Send Email 18652950785 | chemweiao@163.com | China | 4368 | 65 |
| Nanjing Norris-Pharm Technology Co., Ltd | 13901585132 | sales@norris-pharm.com | China | 8869 | 55 |
View Latest Price from 3-Cyano-4-fluorobenzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-02-02 | 3-Cyano-4-fluorobenzoic acid
171050-06-9
|
5mg | 99%HPLC | 2000tons | Shaanxi Dideu Medichem Co. Ltd | ||
 |
2019-07-06 | 3-Cyano-4-fluorobenzoic acid
171050-06-9
|
$1.00 | 1KG | 98% | 1ton | Career Henan Chemical Co |
-
- 3-Cyano-4-fluorobenzoic acid
171050-06-9
- 99%HPLC
- Shaanxi Dideu Medichem Co. Ltd
-
- 3-Cyano-4-fluorobenzoic acid
171050-06-9
- $1.00
- 98%
- Career Henan Chemical Co
