3-(2,4,6-Trinitrophenylamino)benzoic acid
3-(2,4,6-trinitroanilino)benzoic acid
Also Known As: 3-(2,4,6-Trinitroanilino)benzoic acid|m-(2,4,6-Trinitroanilino)benzoic acid|3-[(2,4,6-trinitrophenyl)amino]benzoic acid|3-(2,4,6-Trinitroanilino)benzoic acid #|benzoic acid, 3-(2,4,6-trinitroanilino)-|3-((2,4,6-trinitrophenyl)amino)benzoic acid|3-(2,4,6-TRINITROPHENYLAMINO)BENZOIC ACID|J1.427.439A|3-(2,4,6-Trinitro-phenylamino)-benzoic acid|666-962-4
CAS: 7221-19-4
| Molecular Formula | C13H8N4O8 |
|---|---|
| Molecular Weight | 348.0342 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0342 |
| Monoisotopic Mass | 348.0342 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 7221-19-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | POECFHVTFLONRY-UHFFFAOYSA-N |
Product Overview
3-(2,4,6-Trinitrophenylamino)benzoic acid (CAS 7221-19-4), with molecular formula C13H8N4O8 and molecular weight 348.0342 g/mol. IUPAC: 3-(2,4,6-trinitroanilino)benzoic acid.
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.
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