4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
- Product Name4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
- CAS112809-25-3
- MFC10H8N4
- MW184.2
- EINECS
- MOL File112809-25-3.mol
Chemical Properties
| Melting point | 69 °C |
| Boiling point | 412.1±55.0 °C(Predicted) |
| Density | 1.19±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 2.52±0.10(Predicted) |
| color | White |
| InChI | InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2 |
| InChIKey | HQLYWHSJALKYOV-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(CN2C=NC=N2)C=C1 |
| CAS DataBase Reference | 112809-25-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 10-20/21/22 |
| Safety Statements | 16-22-36/37/39 |
| HS Code | 2933998090 |
