29878-31-7
| Name | 4-methyl-1H-benzotriazole |
| CAS | 29878-31-7 |
| EINECS(EC#) | 249-921-1 |
| Molecular Formula | C7H7N3 |
| MDL Number | MFCD00035800 |
| Molecular Weight | 133.15 |
| MOL File | 29878-31-7.mol |
Chemical Properties
| Melting point | 139-143°C |
| Boiling point | 360.6±11.0 °C(Predicted) |
| density | 1.273±0.06 g/cm3(Predicted) |
| storage temp. | Room temperature. |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 8.74±0.40(Predicted) |
| color | Dark Orange to Very Dark Brown |
| BRN | 119183 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10) |
| InChIKey | CMGDVUCDZOBDNL-UHFFFAOYSA-N |
| SMILES | N1C2=C(C)C=CC=C2N=N1 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2933998090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 3 Eye Irrit. 2 |