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;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
| Product description | Number | Pack Size | Price |
| 3-Cyano-4-fluorobenzoicAcid | C998398 | 50mg | $45 |
| 3-Cyano-4-fluorobenzoicAcid | C998398 | 100mg | $60 |
| 3-Cyano-4-fluorobenzoicacid | PC6131 | 1g | $69 |
| 3-Cyano-4-fluorobenzoic acid | FC11266 | 1g | $100 |
| 3-Cyano-4-fluorobenzoic acid | 4637-3-70 | 1g | $111 |
| More product size | |||
| 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 |
|---|---|---|---|---|---|---|---|
| TRC | C998398 | 3-Cyano-4-fluorobenzoicAcid | 171050-06-9 | 50mg | $45 | 2021-12-16 | Buy |
| TRC | C998398 | 3-Cyano-4-fluorobenzoicAcid | 171050-06-9 | 100mg | $60 | 2021-12-16 | Buy |
| Apolloscientific | PC6131 | 3-Cyano-4-fluorobenzoicacid | 171050-06-9 | 1g | $69 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FC11266 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 1g | $100 | 2021-12-16 | Buy |
| SynQuest Laboratories | 4637-3-70 | 3-Cyano-4-fluorobenzoic acid | 171050-06-9 | 1g | $111 | 2021-12-16 | 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 | |
|---|---|---|---|---|---|
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29819 | 58 |
| Accela ChemBio Inc. | +1-858-6993322 | info@accelachem.com | United States | 21193 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49977 | 58 |
| Shaanxi Dideu Medichem Co. Ltd | +86-29-87569262 +86-15003564040 | 1056@dideu.com | China | 3982 | 58 |
| Nanjing Fred Technology Co., Ltd. | +86-02584696168 15380713688 | Austin@fredchem.cn | CHINA | 865 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
| Zhejiang J&C Biological Technology Co.,Limited | +1-2135480471 +1-2135480471; | sales@sarms4muscle.com | China | 10473 | 58 |
| changzhou huayang technology co., ltd | +8615250961469 | 2571773637@qq.com | China | 9653 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
View Lastest 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
|
US $0.00-0.00 / KG | 5mg | 99%HPLC | 2000tons | Shaanxi Dideu Medichem Co. Ltd | |
 |
2019-07-06 | 3-Cyano-4-fluorobenzoic acid
171050-06-9
|
US $1.00 / KG | 1KG | 98% | 1ton | Career Henan Chemical Co |
-
- 3-Cyano-4-fluorobenzoic acid
171050-06-9
- US $0.00-0.00 / KG
- 99%HPLC
- Shaanxi Dideu Medichem Co. Ltd
-
- 3-Cyano-4-fluorobenzoic acid
171050-06-9
- US $1.00 / KG
- 98%
- Career Henan Chemical Co
