3-Methylbenzoylacetonitrile
- Product Name3-Methylbenzoylacetonitrile
- CAS53882-81-8
- MFC10H9NO
- MW159.18
- EINECS
- MOL File53882-81-8.mol
Chemical Properties
| Melting point | 73 °C |
| Boiling point | 318.6±25.0 °C(Predicted) |
| Density | 1.081±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 7.84±0.10(Predicted) |
| Appearance | White to light yellow Solid |
| BRN | 2717335 |
| InChI | 1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3 |
| InChIKey | IVLKDYOTZMFMLO-UHFFFAOYSA-N |
| SMILES | N#CCC(C1=CC=CC(C)=C1)=O |
| CAS DataBase Reference | 53882-81-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Toluoylacetonitrile(53882-81-8) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38-22 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 3439 |
| WGK Germany | WGK 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |