HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Nitroanthraquinone-2-carboxylic acid
SKL380 · Nsc82322 · 1-Nitro-2-anthroic acid · 1-nitro-2-carboxyanthraquinone · 1-Nitroanthraquinonecarboxylic acid · 1-nitro-2-anthraquinonecarboxylicacid · 2-Anthraquinonecarboxylic acid, 1-nitro- · Kyselina 1-nitroanthrachinon-2-karbonova

Identifiers & Physical Properties
| CAS No. | 128-67-6 |
|---|---|
| Molecular formula | C15H7NO6 |
| Average molar mass | 297.22 g/mol |
| Monoisotopic mass | 297.02733694 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] |
| InChIKey | PMOCDYOEOUEPAN-UHFFFAOYSA-N |
| PubChem CID | 31413 |
| EC No. | 204-904-8 |
| DTXSID | DTXSID20155768 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 117 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 539 |
| Melting point | 283 °C |
| Boiling point | 438.74°C (rough estimate) |
| Density | 1.3788 (rough estimate) |
| Refractive index | 1.6231 (estimate) |
| pKa (acidity coefficient) | 1.45±0.20(Predicted) |
| EWG's Food Scores | 1 |
| GHS pictogram | GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H302-H400 |
| GHS precautionary statements | P273-P391-P501-P264-P270-P301+P312-P330-P501 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS09 |
| GHS hazard statements | H302-H400 |
| GHS precautionary statements | P273-P391-P501-P264-P270-P301+P312-P330-P501 |
Applications & Uses
Uses
used as intermediate of dye vat red F3B.