4-Acetamido-3-nitrobenzoic acid
- Product Name4-Acetamido-3-nitrobenzoic acid
- CAS1539-06-6
- CBNumberCB3355402
- MFC9H8N2O5
- MW224.17
- EINECS216-265-2
- MDL NumberMFCD00014703
- MOL File1539-06-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 220-224 °C (lit.) |
| Boiling point | 365.56°C (rough estimate) |
| Density | 1.4656 (rough estimate) |
| refractive index | 1.5570 (estimate) |
| storage temp. | 2-8°C |
| pka | 3.62±0.10(Predicted) |
| form | solid |
| BRN | 2217819 |
| InChI | 1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14) |
| InChIKey | BRQIMWBIZLRLSV-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| CAS DataBase Reference | 1539-06-6(CAS DataBase Reference) |
| FDA UNII | 9W2250FZKC |
| EPA Substance Registry System | Benzoic acid, 4-(acetylamino)-3-nitro- (1539-06-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H317 | |||||||||
| Precautionary statements | P280 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 43-36/37/38 | |||||||||
| Safety Statements | 36/37-37/39-26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29242990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Skin Sens. 1 | |||||||||
| NFPA 704: |
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