Pentachlorobenzenethiol

Basic Information

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CAS Number

133-49-3

Molecular Formula

C6HCl5S

Molecular Weight

282.41 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

223-227 °C

Boiling Point

351.3ºC at 760 mmHg

Flash Point

144.6ºC

Refractive Index

1.648

SMILES

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C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S

InChI

InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

InChIKey

LLMLGZUZTFMXSA-UHFFFAOYSA-N

LogP

5.242299999999999

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

150

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Stench

Synonyms & References

English

WLN: SHR BG CG DG EG FG
VS-08658
AI3-23118
Pentachlorobenzenethiol
RPA 6
Benzenethiol, pentachloro-
HSDB 6124
133-49-3
A806624
NSC-5578
Pentachlorthiofenol
pentachlorobenzene-1-thiol
EINECS 205-107-8
Pentachlorthiophenol
Akrochem Peptizer PTP
2,3,4,5,6-Pentachlorobenzenethiol
Pentachlorthiofenol [Czech]
BRN 1108638
2,3,4,5,6-pentachloro-benzenethiol
Renacit 7 (Salt/Mix)
PENTACHLOROTHIOPHENOL
NSC5578
CS-0204835
Pentachlorothiophenol, analytical standard
2,3,4,5,6-Pentachlorobenzenethiol #
AKOS005463160
MFCD00059146
4-06-00-01642 (Beilstein Handbook Reference)
P0312
USAF B-51
D91942

MDL Number

MFCD00059146

Customs Code

2930909090

FAQ

What is Pentachlorobenzenethiol (CAS: 133-49-3)?

Pentachlorobenzenethiol is an organic compound with the chemical formula C6H3Cl5S, identified by the CAS number 133-49-3. It is a yellow or brown crystalline solid with a distinctive odor. This compound is utilized in various industrial applications and research, particularly in the synthesis of other chlorobenzenes and as a starting material for the production of other organic compounds.

What are the main uses of Pentachlorobenzenethiol (CAS: 133-49-3)?

Pentachlorobenzenethiol is primarily used in the pharmaceutical and chemical industries for the synthesis of other chlorobenzenes and thioether derivatives. It also serves as a reagent in organic synthesis and as an intermediate in the production of certain dyes and pigments. Its properties make it valuable in research and development for its specific chemical reactivity.

Is Pentachlorobenzenethiol (CAS: 133-49-3) safe?

Pentachlorobenzenethiol is not considered safe for general handling due to its toxic and potentially carcinogenic nature. It is important to follow all safety guidelines, including wearing appropriate personal protective equipment, to avoid inhalation and skin contact. Handling should be conducted in a well-ventilated area and with appropriate containment systems.

How should Pentachlorobenzenethiol (CAS: 133-49-3) be stored?

Pentachlorobenzenethiol should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Proper storage requires a temperature range of 0-25°C and a low humidity environment to maintain its stability and safety.