HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 15283172Generated: October 23, 2026
6-Amino-2-methyl-3-nitrobenzoic acid
6-AMino-2-Methyl-3-nitrobenzoic acid · Benzoic acid, 6-amino-2-methyl-3-nitro- · Benzoic acid, 6-amino-2-methyl-3-nitro- (9CI)
https://huagongshe.com/en/chemical/15283172
Identifiers & Physical Properties
| CAS No. | 89977-13-9 |
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| Molecular formula | C8H8N2O4 |
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| Average molar mass | 196.16 g/mol |
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| Monoisotopic mass | 196.04840674 g/mol |
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| SMILES | Cc1c([N+](=O)[O-])ccc(N)c1C(=O)O |
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| InChIKey | MLRJGGLSAKYLRT-UHFFFAOYSA-N |
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| PubChem CID | 15283172 |
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| DTXSID | DTXSID40570974 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 109 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 250 |
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| Melting point | 185-186 °C (decomp)(Solv: ethanol, 10% (64-17-5)) |
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| Boiling point | 422.2±45.0 °C(Predicted) |
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| Density | 1.482±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 3.73±0.29(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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