4-Chlorobenzoylacetonitrile
- Product Name4-Chlorobenzoylacetonitrile
- CAS4640-66-8
- MFC9H6ClNO
- MW179.6
- EINECS
- MOL File4640-66-8.mol
Chemical Properties
| Melting point | 129-133 °C(lit.) |
| Boiling point | 349.3±22.0 °C(Predicted) |
| Density | 1.2364 (rough estimate) |
| refractive index | 1.422-1.424 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol |
| pka | 7.37±0.10(Predicted) |
| form | Light Yellow Needles |
| color | White to Yellow to Orange |
| BRN | 743368 |
| InChI | InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2 |
| InChIKey | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| SMILES | C(C1C=CC(Cl)=CC=1)(=O)CC#N |
| CAS DataBase Reference | 4640-66-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,T |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| HazardClass | IRRITANT, IRRITANT-HARMFUL |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
