2,2,2-Trinitro-1-phenylethane
2,2,2-trinitroethylbenzene
Also Known As: phenyltrinitroethane|2,2,2-trinitroethylbenzene|Benzene, trinitro-ethyl-|2,2,2-Trinitro-1-phenylethane|(2,2,2-Trinitroethyl)benzene|1-Phenyl-2,2,2-trinitroethan|(2,2,2-Trinitroethyl) benzene|(2,2,2-Trinitroethyl)benzene #
CAS: 38677-56-4
| Molecular Formula | C8H7N3O6 |
|---|---|
| Molecular Weight | 241.03348 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.03348 |
| Monoisotopic Mass | 241.03348 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 38677-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AJYDBHCFRVMOBB-UHFFFAOYSA-N |
Product Overview
2,2,2-Trinitro-1-phenylethane (CAS 38677-56-4), with molecular formula C8H7N3O6 and molecular weight 241.03348 g/mol. IUPAC: 2,2,2-trinitroethylbenzene.
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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