A4351112
3-Fluorophenylacetonitrile , 98% , 501-00-8
Synonym(s):
3-Fluorobenzyl cyanide
CAS NO.：501-00-8
Empirical Formula: C8H6FN
Molecular Weight: 135.14
MDL number: MFCD00001907
EINECS: 207-918-2
| Pack Size | Price | Stock | Quantity |
| 5G | RMB37.60 | In Stock |
|
| 25G | RMB106.40 | In Stock |
|
| 100G | RMB400.00 | In Stock |
|
| 500g | RMB1762.40 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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) |
| NIST Chemistry Reference | Benzeneacetonitrile, 3-fluoro-(501-00-8) |
| EPA Substance Registry System | Benzeneacetonitrile, 3-fluoro- (501-00-8) |
Description and 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.
Safety
| 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 |
