4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
- Product Name4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
- CAS112809-25-3
- CBNumberCB0104724
- MFC10H8N4
- MW184.2
- MDL NumberMFCD07368016
- 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
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H312-H332 | |||||||||
| Precautionary statements | P280 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 10-20/21/22 | |||||||||
| Safety Statements | 16-22-36/37/39 | |||||||||
| HS Code | 2933990099 | |||||||||
| NFPA 704: |
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