4-Chloro-3,5-dinitrobenzoic acid
- Product Name4-Chloro-3,5-dinitrobenzoic acid
- CAS118-97-8
- MFC7H3ClN2O6
- MW246.56
- EINECS204-290-1
- MOL File118-97-8.mol
Chemical Properties
| Melting point | 159-162 °C (lit.) |
| Boiling point | 315°C |
| Density | 1.9543 (rough estimate) |
| refractive index | 1.6500 (estimate) |
| Flash point | 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 | Benzoic acid, 4-chloro-3,5-dinitro- (118-97-8) |
Safety Information
| Hazard Codes | Xi,E |
| Risk Statements | 38-36/37/38-36/38-2 |
| Safety Statements | 28-24/25-22-35-26 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163990 |
| Storage Class | 4.1A - Other explosive hazardous materials |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 |
