PENTACHLOROTHIOPHENOL 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

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

Pentachlorothiophenol (133-49-3)

Safety Information

Safety Statements 

26

RIDADR 

UN 3335

WGK Germany 

3

RTECS 

DC1925000

Hazard Note 

Harmful/Stench

HS Code 

29309090

Hazardous Substances Data

133-49-3(Hazardous Substances Data)

Toxicity

LD50 orl-rat: 11,900 g/kg 28ZPAK -,168,72

MSDS

• Language:English Provider:SigmaAldrich

PENTACHLOROTHIOPHENOL Usage And Synthesis

Chemical Properties

Light yellow powder

Uses

Pentachlorothiophenol is plasticizer; is used in method for preparing outer rubber hose for high performance hydraulic oil pipe.

Synthesis Reference(s)

Synthetic Communications, 22, p. 3277, 1992 DOI: 10.1080/00397919208021143

Safety Profile

Poison by intraperitoneal route. Mildly toxic by ingestion. Severe eye irritant. When heated to decomposition it emits very toxic fumes of SOx and Clí.

Purification Methods

Crystallise from *benzene, toluene (m 243o) or AcOH (m 240o also 242-244o). [Beilstein 6 IV 1642.]

PENTACHLOROTHIOPHENOL(133-49-3)Related Product Information

• ZINC PENTACHLOROTHIOPHENOL,ZINC SALT OF PENTACHLOROTHIOPHENOL,pentachlorothiophenol,zincsal
• SODIUM METASILICATE PENTAHYDRATE
• Pentafluorocyclotriphosphazene
• Decabromodiphenyl oxide
• PENTACHLOROANISOLE
• Pentafluorophenol
• Trimethylsilyl cyanide
• Glucosamine
• Thiophenol
• PENTACHLOROBENZENE
• PENTACHLOROTHIOPHENOL
• PENTACHLOROTHIOANISOLE
• BIS(PENTACHLOROPHENYL) DISULFIDE
• 2-[(pentachlorophenyl)dithio]ethanol
• 6-PENTACHLOROPHENYLSULFANYL-[1,3,5]TRIAZINE-2,4-DIAMINE
• pentachlorophenylmethyl sulfoxide
• Pentachlorothiophenol, zinc salt (activated)
• Sulfoxide, pentachlorophenyl trichloromethyl