2,4-Dichloro-5-sulfamoylbenzoic acid
- Product Name2,4-Dichloro-5-sulfamoylbenzoic acid
- CAS2736-23-4
- MFC7H5Cl2NO4S
- MW270.09
- EINECS220-358-3
- MOL File2736-23-4.mol
Chemical Properties
| Melting point | 230-232 °C (dec.)(lit.) |
| Boiling point | 503.8±60.0 °C(Predicted) |
| Density | 1.5426 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| pka | 2.08±0.25(Predicted) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | insoluble |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) |
| InChIKey | ZSHHRBYVHTVRFK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1Cl |
| CAS DataBase Reference | 2736-23-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | DG8100000 |
| HS Code | 29350090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985. |
