3-Bromophenylacetonitrile
- Product Name3-Bromophenylacetonitrile
- CAS31938-07-5
- MFC8H6BrN
- MW196.04
- EINECS250-867-6
- MOL File31938-07-5.mol
Chemical Properties
| Melting point | 27-28 °C (lit.) |
| Boiling point | 145-147 °C/10 mmHg (lit.) |
| Density | 1.5466 (rough estimate) |
| refractive index | 1.5700 |
| Flash point | >110°C |
| storage temp. | Sealed in dry,Room Temperature |
| form | liquid |
| color | Colourless |
| BRN | 2355439 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | InChI=1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
| InChIKey | UUZYFBXKWIQKTF-UHFFFAOYSA-N |
| SMILES | C1(CC#N)=CC=CC(Br)=C1 |
| LogP | 2.220 (est) |
| CAS DataBase Reference | 31938-07-5(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Bromobenzyl cyanide (31938-07-5) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 36/37/38-20/21/22-20/21/22/36/37/38 |
| Safety Statements | 36/37/39-26-26/36/37/39-36 |
| RIDADR | 3449 |
| WGK Germany | 3 |
| RTECS | AL8060000 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | I |
| HS Code | 29269090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
