3-Fluorophenylacetonitrile
- CAS No.
- 501-00-8
- Chemical Name:
- 3-Fluorophenylacetonitrile
- Synonyms
- m-Fluorobenzylcyanide;3-FLUOROBENZYL CYANIDE;3-FluorobenzylCyanide>M-FLUOROPHENYLACETONITRILE;3-FLUOROPHENYLACETONITRILE;3-fluoro-benzeneacetonitril;3-FLUOROBENZENEACETONITRILE;3-Fluorophenylacetonitrile 98%;Benzeneacetonitrile, 3-fluoro-;3-Fluorophenylacetonitrile,98+%
- CBNumber:
- CB5667354
- Molecular Formula:
- C8H6FN
- Molecular Weight:
- 135.14
- MDL Number:
- MFCD00001907
- MOL File:
- 501-00-8.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-Fluorophenylacetonitrile 99% | F13355 | 5g | $57.5 |
| 3-Fluorobenzyl Cyanide >98.0%(GC) | F0256 | 5g | $34 |
| 3-Fluorobenzyl Cyanide >98.0%(GC) | F0256 | 25g | $100 |
| 3-Fluorophenylacetonitrile | F621320 | 2.5g | $65 |
| 3-Fluorophenylacetonitrile | F621320 | 1g | $55 |
| More product size | |||
| Melting point | 21 °C |
|---|---|
| Boiling point | 113-114 °C18 mm Hg(lit.) |
| Density | 1.163 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to lump to clear liquid |
| color | White or Colorles to Yellow to Orange |
| Specific Gravity | 1.163 |
| BRN | 1861071 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
| InChIKey | DEJPYROXSVVWIE-UHFFFAOYSA-N |
| SMILES | C1(CC#N)=CC=CC(F)=C1 |
| CAS DataBase Reference | 501-00-8(CAS DataBase Reference) |
| FDA UNII | 52V7K4FR47 |
| NIST Chemistry Reference | Benzeneacetonitrile, 3-fluoro-(501-00-8) |
| EPA Substance Registry System | Benzeneacetonitrile, 3-fluoro- (501-00-8) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H312-H315-H319-H332-H335-H331 | |||||||||
| Precautionary statements | P304+P340-P405-P501a-P261-P280-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,Xi,T | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 26-37/39-24/25-36 | |||||||||
| RIDADR | 3276 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Toxic | |||||||||
| TSCA | T | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| NFPA 704 |
|
3-Fluorophenylacetonitrile price More Price(25)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | F13355 | 3-Fluorophenylacetonitrile 99% | 501-00-8 | 5g | $57.5 | 2023-01-07 | Buy |
| TCI Chemical | F0256 | 3-Fluorobenzyl Cyanide >98.0%(GC) | 501-00-8 | 5g | $34 | 2025-07-31 | Buy |
| TCI Chemical | F0256 | 3-Fluorobenzyl Cyanide >98.0%(GC) | 501-00-8 | 25g | $100 | 2025-07-31 | Buy |
| TRC | F621320 | 3-Fluorophenylacetonitrile | 501-00-8 | 2.5g | $65 | 2021-12-16 | Buy |
| TRC | F621320 | 3-Fluorophenylacetonitrile | 501-00-8 | 1g | $55 | 2021-12-16 | Buy |
3-Fluorophenylacetonitrile Chemical Properties,Uses,Production
Chemical Properties
clear light yellow to slightly brown liquid
Uses
3-Fluorophenylacetonitrile is a phenylacetonitrile derivative that is mainly used in pharmaceutical manufacturing or organic synthesis. It is used as a pharmaceutical intermediate for Lemborexant. The drug is a dual receptor orexin antagonist (DORA) approved for the treatment of primary insomnia.
Synthesis
773837-37-9
456-41-7
501-00-8
General procedure for the synthesis of m-fluorophenylacetonitrile from compound (CAS: 773837-37-9) and 3-fluorobenzyl bromide: Compound 36-1 (1.0 g, 5.3 mmol) and sodium cyanide (520 mg, 10.6 mmol) were dissolved in dimethylsulfoxide (10 mL), and the reaction was stirred at 30 °C overnight. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was diluted with water (30 mL) and extracted with ethyl acetate (50 mL). The organic phase was washed sequentially with water (10 mL x 5) and saturated sodium bicarbonate solution (20 mL), dried over anhydrous sodium sulfate and concentrated. The residue was purified by fast column chromatography to give product 36-2 as a colorless oil (360 mg, yield: 50%).
References
[1] Patent: WO2011/11522, 2011, A2. Location in patent: Page/Page column 57
[2] Patent: WO2012/79079, 2012, A1. Location in patent: Page/Page column 63
3-Fluorophenylacetonitrile Preparation Products And Raw materials
Raw materials
1of3
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Sichuan Zhuoyu Yantang Technology Co., Ltd. | +8613288715578 | sales@sichuanzyyt.com | China | 12247 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5251 | 58 |
| Hebei Chuanghai Biotechnology Co., Ltd | +8615531151365 | mina@chuanghaibio.com | China | 18126 | 58 |
| ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | +86-13017695106 +86-13676922317 | jiuyitime@fdachem.com | China | 16516 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29734 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 13451 | 58 |
| Fluoropharm Co., Ltd. | +86-0571-85586753 +86-13336034509 | sales@fluoropharm.com | China | 1445 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29852 | 58 |
| Win-Win Chemical CO., Limited | 0086-577-64498589 | sales@win-winchemical.com | CHINA | 998 | 58 |
| Hubei Jusheng Technology Co.,Ltd. | 18871490254 | linda@hubeijusheng.com | CHINA | 28172 | 58 |
View Lastest Price from 3-Fluorophenylacetonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-10-13 | 3-Fluorophenylacetonitrile
501-00-8
|
US $2.00-5.00 / KG | 0.10000000149011612KG | 99% | g-kg-tons | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | |
 |
2025-08-08 | 3-Fluorophenylacetonitrile
501-00-8
|
US $0.00 / KG | 1KG | 99% | 50000KG/month | Sichuan Zhuoyu Yantang Technology Co., Ltd. | |
 |
2025-06-27 | 3-Fluorophenylacetonitrile
501-00-8
|
US $0.00-0.00 / KG | 1KG | 99% | 500000kg | Hebei Chuanghai Biotechnology Co., Ltd |
-
- 3-Fluorophenylacetonitrile
501-00-8
- US $2.00-5.00 / KG
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- 3-Fluorophenylacetonitrile
501-00-8
- US $0.00 / KG
- 99%
- Sichuan Zhuoyu Yantang Technology Co., Ltd.
-
- 3-Fluorophenylacetonitrile
501-00-8
- US $0.00-0.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
