2,3,4,5-Tetrachlorophenol
- Product Name2,3,4,5-Tetrachlorophenol
- CAS4901-51-3
- MFC6H2Cl4O
- MW231.89
- EINECS225-531-7
- MOL File4901-51-3.mol
Chemical Properties
| Melting point | 117℃ |
| Boiling point | 331.59°C (rough estimate) |
| Density | 1.7544 (rough estimate) |
| refractive index | 1.5133 (estimate) |
| Flash point | 4 °C |
| storage temp. | APPROX 4°C |
| solubility | DMF: 30 mg/ml,DMSO: 15 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml |
| pka | 6.15±0.28(Predicted) |
| Water Solubility | 166mg/L(25 ºC) |
| BRN | 2049590 |
| Henry's Law Constant | 7.2×100 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| Major Application | environmental |
| InChI | 1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H |
| InChIKey | RULKYXXCCZZKDZ-UHFFFAOYSA-N |
| SMILES | Oc1cc(Cl)c(Cl)c(Cl)c1Cl |
| EPA Substance Registry System | 2,3,4,5-Tetrachlorophenol (4901-51-3) |
Safety Information
| Hazard Codes | T,N,Xn,F |
| Risk Statements | 23/24/25-39/23/24/25-67-65-50/53-38-11-41-37/38-25 |
| Safety Statements | 36/37-45-62-61-60-33-29-16-36/39-26-25 |
| RIDADR | UN 1230 3/PG 2 |
| WGK Germany | 3 |
| RTECS | SM9200000 |
| HS Code | 2908190090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 4901-51-3(Hazardous Substances Data) |
