133-49-3

Name PENTACHLOROTHIOPHENOL
CAS 133-49-3
EINECS(EC#) 205-107-8
Molecular Formula C6HCl5S
MDL Number MFCD00059146
Molecular Weight 282.4
MOL File 133-49-3.mol
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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)
form  Solid
pka 3.14±0.50(Predicted)
color  Off-White to Pale Beige
Sensitive  Stench
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)
NIST Chemistry Reference Pentachloro benzenethiol(133-49-3)
EPA Substance Registry System 133-49-3(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Safety Statements 
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

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