3,4-Dichlorobenzoic acid
- Product Name3,4-Dichlorobenzoic acid
- CAS51-44-5
- MFC7H4Cl2O2
- MW191.01
- EINECS200-099-2
- MOL File51-44-5.mol
Chemical Properties
| Melting point | 204-206 °C (lit.) |
| Boiling point | 273.68°C (rough estimate) |
| Density | 1.4410 (rough estimate) |
| refractive index | 1.4590 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.60±0.10(Predicted) |
| color | White to Almost white |
| Water Solubility | insoluble |
| BRN | 2044777 |
| Henry's Law Constant | 2.1×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI | InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
| InChIKey | VPHHJAOJUJHJKD-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(Cl)C(Cl)=C1 |
| CAS DataBase Reference | 51-44-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3,4-dichloro-(51-44-5) |
| EPA Substance Registry System | 3,4-Dichlorobenzoic acid (51-44-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-37/38-36 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| RTECS | DG7175000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
