4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
- Product Name4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
- CAS160388-54-5
- CBNumberCB8710956
- MFC10H9N3O2
- MW203.2
- MDL NumberMFCD07187900
- MOL File160388-54-5.mol
Chemical Properties
| Melting point | 227 °C |
| Boiling point | 456.9±55.0 °C(Predicted) |
| Density | 1.34±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 4.14±0.10(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C10H9N3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15) |
| InChIKey | DJXUEFGFCMIONN-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(CN2C=NC=N2)C=C1 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 | |||||||||
| Hazard Codes | Xi | |||||||||
| HazardClass | IRRITANT | |||||||||
| NFPA 704: |
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