4-Amino-3,5-dinitrobenzoic acid
4-amino-3,5-dinitrobenzoic acid
Also Known As: 4-amino-3,5-dinitrobenzoic acid|Chrysanisic acid|ADBA compound|ACMC-209om3|4-tert-Butyl-L-phenylalanine|4-Amino-2,6-dinitrobenzoic acid|4-AMINO-3,5-DINITROBENZOICACID|4-Amino-3,5-dinitro-benzoic acid|benzoic acid, 4-amino-3,5-dinitro-|Benzoic acid,4-amino-3,5-dinitro-|ZERO/005299|SS-5138|4-AMINO-3,3-DINTRO-BENZOIC ACID|BB 0246608|B-4849
CAS: 727-71-9
| Molecular Formula | C7H5N3O6 |
|---|---|
| Molecular Weight | 227.01784 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.01784 |
| Monoisotopic Mass | 227.01784 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 727-71-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)O |
| InChIKey | RMVUGEPUWQMQPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Analytical Reagents (2 patents)
Catalysts (2 patents)
Dyes & Pigments (1 patents)
Heterocyclic Building Blocks (26 patents)
Organic Building Blocks (1 patents)
Organometallic Reagents (1 patents)
Pharmaceutical Intermediates (32 patents)
Polymer Intermediates (3 patents)
Specialty Chemicals (6 patents)
Product Overview
4-Amino-3,5-dinitrobenzoic acid (CAS 727-71-9), with molecular formula C7H5N3O6 and molecular weight 227.01784 g/mol. IUPAC: 4-amino-3,5-dinitrobenzoic 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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