2,4,6-Trinitrophenylacetic acid
2-(2,4,6-trinitrophenyl)acetic acid
Also Known As: 2,4,6-Trinitrophenylacetic acid|(2,4,6-trinitrophenyl)acetic acid|2-(2,4,6-trinitrophenyl)acetic acid|2,4,6-Trinitrobenzeneacetic acid|ZERO/001277|J1.448.143E|SR-01000090580-1
CAS: 77601-83-3
| Molecular Formula | C8H5N3O8 |
|---|---|
| Molecular Weight | 271.00766 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.00766 |
| Monoisotopic Mass | 271.00766 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 77601-83-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NECAHMOLCOTMNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (4 patents)
Polymer Intermediates (1 patents)
Product Overview
2,4,6-Trinitrophenylacetic acid (CAS 77601-83-3), with molecular formula C8H5N3O8 and molecular weight 271.00766 g/mol. IUPAC: 2-(2,4,6-trinitrophenyl)acetic 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.
View MSDS →
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