2-CHLOROBENZOYLACETONITRILE
- Product Name2-CHLOROBENZOYLACETONITRILE
- CAS40018-25-5
- MFC9H6ClNO
- MW179.6
- EINECS609-772-9
- MOL File40018-25-5.mol
Chemical Properties
| Melting point | 55-59 °C |
| Boiling point | 302.2±22.0 °C(Predicted) |
| Density | 1.2364 (rough estimate) |
| refractive index | 1.5330 (estimate) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 6.41±0.10(Predicted) |
| color | Yellow to Dark Yellow |
| Sensitive | Moisture Sensitive |
| BRN | 2413204 |
| InChI | InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2 |
| InChIKey | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1Cl)C(=O)CC#N |
| LogP | 0.8 at 30℃ |
| CAS DataBase Reference | 40018-25-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,T,Xi |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 36/37/39-26-22 |
| RIDADR | 3276 |
| PackingGroup | III |
| HS Code | 29269095 |
