1588-83-6
| Name | 4-Amino-3-nitrobenzoic acid |
| CAS | 1588-83-6 |
| EINECS(EC#) | 216-453-4 |
| Molecular Formula | C7H6N2O4 |
| MDL Number | MFCD00017009 |
| Molecular Weight | 182.13 |
| MOL File | 1588-83-6.mol |
Chemical Properties
| Appearance | ochre-yellow crystalline powder |
| Melting point | 280 °C (dec.) (lit.) |
| Boiling point | 315.51°C (rough estimate) |
| density | 1.5181 (rough estimate) |
| refractive index | 1.5880 (estimate) |
| Fp | 290°C |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| form | Crystalline Powder |
| pka | 4.19±0.10(Predicted) |
| color | Ochre to yellow |
| Decomposition | 290 ºC |
| BRN | 645206 |
| Major Application | peptide synthesis |
| InChI | InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11) |
| InChIKey | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(N)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 1588-83-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-amino-3-nitro-(1588-83-6) |
| EPA Substance Registry System | 1588-83-6(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29224999 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |