1H-Benzotriazole, 1-methyl-6-nitro-
1-methyl-6-nitrobenzotriazole
Also Known As: 1-methyl-6-nitrobenzotriazole|1H-Benzotriazole, 1-methyl-6-nitro-|1-Methyl-6-nitro-1H-benzotriazole|3-Methyl-5-nitrobenzotriazole|1-Methyl-6-nitro-1H-1,2,3-benzotriazole|1-Methyl-6-nitro-1H-1,2,3-benzotriazole #
CAS: 25877-35-4
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.04907 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.04907 |
| Monoisotopic Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 25877-35-4 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1 |
| InChIKey | LWEWBHHHZBJJLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (19 patents)
Pharmaceutical Intermediates (12 patents)
Product Overview
1H-Benzotriazole, 1-methyl-6-nitro- (CAS 25877-35-4), with molecular formula C7H6N4O2 and molecular weight 178.04907 g/mol. IUPAC: 1-methyl-6-nitrobenzotriazole.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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