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Structural formula
Structural formula of pentachlorobenzenethiol
Surname Pentachlorobenzenethiol
other names
  • Pentachlorothiophenol
  • PCTP
Molecular formula C 6 HCl 5 S
Brief description

gray solid with an unpleasant odor

External identifiers / databases
CAS number 133-49-3
EC number 205-107-8
ECHA InfoCard 100.004.644
PubChem 8620
Wikidata Q1754155
Molar mass 282.38 g mol −1
Physical state



2.01 g cm −3

Melting point

223-227 ° C


practically insoluble in water (4.2 mg l −1 at 20 ° C)

safety instructions
GHS labeling of hazardous substances
07 - Warning


H and P phrases H: 319
P: 305 + 351 + 338
Toxicological data

100 mg kg −1 ( LD 50mouseip )

As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions .

Pentachlorobenzenethiol is a chemical compound from the group of thiols and organic chlorine compounds .

Extraction and presentation

Pentachlorobenzenethiol can be obtained from hexachlorobenzene .


Pentachlorobenzenethiol is a flammable gray solid with an unpleasant odor, which is practically insoluble in water. It has a monoclinic crystal structure.


Pentachlorobenzenethiol is used in the rubber industry as an aid in mastication .

Individual evidence

  1. a b c Entry for CAS no. 133-49-3 in the GESTIS substance database of the IFA , accessed on July 11, 2011(JavaScript required) .
  2. ^ A b G. Wojcik, GP Charbonneau, Y. Delugeard and L. Toupet: The disordered crystal structure of pentachlorothiophenol , Acta Cryst. (1980). B36, 506-507, doi : 10.1107 / S0567740880003706 .
  3. a b c d data sheet pentachlorothiophenol from Sigma-Aldrich , accessed on July 11, 2011 ( PDF ).
  4. a b State Institute for Environmental Protection Baden-Württemberg: HCB substance report (PDF; 1.7 MB).
  5. Patent-de: Use of dialkyl polysulfides for mastication of natural and synthetic rubbers .