5-Methyl-2-nitrobenzonitrile
5-methyl-2-nitrobenzonitrile
Also Known As: 5-Methyl-2-nitrobenzonitrile|6-Nitro-m-tolunitrile|CHLORAMINEB|Benzonitrile, 5-methyl-2-nitro-|2-nitro-5-methylbenzonitrile|5-Methyl-2-nitro-benzonitrile|2-Cyano-4-methylnitrobenzene|5-Methyl-2-nitrobenzonitrile #|KS-00000HU9|CL8230|DS-0901|4CH-008673|J1.100.579I
CAS: 64686-33-5
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04292 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Monoisotopic Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 64686-33-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | USQNWFKYQFQGLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Dyes & Pigments (3 patents)
Heterocyclic Building Blocks (12 patents)
Organic Building Blocks (1 patents)
Peptides & Amino Acids (1 patents)
Pharmaceutical Intermediates (19 patents)
Photographic Chemicals (1 patents)
Polymer Intermediates (3 patents)
Product Overview
5-Methyl-2-nitrobenzonitrile (CAS 64686-33-5), with molecular formula C8H6N2O2 and molecular weight 162.04292 g/mol. IUPAC: 5-methyl-2-nitrobenzonitrile.
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 →
Frequently Asked Questions
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