Pentachlorothiophenol
- Product NamePentachlorothiophenol
- CAS133-49-3
- CBNumberCB4308632
- MFC6HCl5S
- MW282.4
- EINECS205-107-8
- MDL NumberMFCD00059146
- MOL File133-49-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 223-227 °C(lit.) |
| Boiling point | 351.3±37.0 °C(Predicted) |
| Density | 1.693 (estimate) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| pka | 3.14±0.50(Predicted) |
| form | Solid |
| color | Off-White to Pale Beige |
| Sensitive | Stench |
| Henry's Law Constant | 6.6×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability | Air Sensitive |
| InChI | InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
| SMILES | C1(S)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl |
| CAS DataBase Reference | 133-49-3(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 92A1Z48VJB |
| NIST Chemistry Reference | Pentachloro benzenethiol(133-49-3) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P305+P351+P338 |
| Safety Statements | 26 |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| RTECS | DC1925000 |
| Hazard Note | Harmful/Stench |
| TSCA | TSCA listed |
| HS Code | 29309090 |
| Hazardous Substances Data | 133-49-3(Hazardous Substances Data) |
| Toxicity | LD50 orl-rat: 11,900 g/kg 28ZPAK -,168,72 |
