118-97-8
| Name | 4-Chloro-3,5-dinitrobenzoic acid |
| CAS | 118-97-8 |
| EINECS(EC#) | 204-290-1 |
| Molecular Formula | C7H3ClN2O6 |
| MDL Number | MFCD00007080 |
| Molecular Weight | 246.56 |
| MOL File | 118-97-8.mol |
Chemical Properties
| Appearance | yellow crystals |
| Melting point | 159-162 °C (lit.) |
| Boiling point | 315°C |
| density | 1.9543 (rough estimate) |
| refractive index | 1.6500 (estimate) |
| Fp | 186°C |
| storage temp. | Sealed in dry,2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2?+-.0.10(Predicted) |
| color | Light orange to Yellow to Green |
| BRN | 668253 |
| InChI | InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12) |
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 118-97-8(CAS DataBase Reference) |
| EPA Substance Registry System | 118-97-8(EPA Substance) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HS Code | 29163990 |
