96-99-1
| Name | 4-Chloro-3-nitrobenzoic acid |
| CAS | 96-99-1 |
| EINECS(EC#) | 202-550-9 |
| Molecular Formula | C7H4ClNO4 |
| MDL Number | MFCD00007079 |
| Molecular Weight | 201.56 |
| MOL File | 96-99-1.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | 180-183 °C (lit.) |
| Boiling point | 371.6±27.0 °C(Predicted) |
| density | 1.64 |
| refractive index | 1.6280 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Powder |
| pka | 3.35±0.10(Predicted) |
| color | Light yellow to cream |
| Water Solubility | 342.7mg/L(temperature not stated) |
| BRN | 783626 |
| Henry's Law Constant | 3.6×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI | InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11) |
| InChIKey | DFXQXFGFOLXAPO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 96-99-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-chloro-3-nitro-(96-99-1) |
| EPA Substance Registry System | 96-99-1(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 |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | DG5425050 |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |