1,4-Benzenedithiol

Basic Information

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CAS Number

624-39-5

Molecular Formula

C6H6S2

Molecular Weight

142.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

96.0 to 99.0 deg-C

Boiling Point

243.3 °C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

111.8 °C

SMILES

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C1=CC(=CC=C1S)S

InChI

InChI=1S/C6H6S2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

InChIKey

WYLQRHZSKIDFEP-UHFFFAOYSA-N

LogP

2.2640000000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

54.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 9 Class 9

Sensitiveness

Air Sensitive

Synonyms & References

English

Benzene-1,4-dithiol, 99% (GC)
DTXSID80405615
CALCIUMUNDECYLENATE
AKOS005207204
4-mercaptothiophenol
Dithiohydroquinone
1,4-benzene dithiol
FT-0606769
A8632
B1505
T71138
benzene-1,4-dithiol
1,4-Benzenendithiol
1,4-Benzenedithiol
AMY22355
MFCD00142541
WYLQRHZSKIDFEP-UHFFFAOYSA-N
MS-20722
SCHEMBL64710
624-39-5
C6H6S2
CS-0100444
GEO-04155
1,4-Dimercaptobenzene~Dithiohydroquinone
1,4-Dimercaptobenzene
PubChem6866
STL557731
BBL103921
VZ34174
I110
TL8004148

MDL Number

MFCD00142541

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1,4-Benzenedithiol (CAS: 624-39-5)?

1,4-Benzenedithiol (CAS: 624-39-5) is a colorless to light yellow liquid with a molecular weight of 122.16 g/mol. It has a melting point of -40°C and a boiling point of 238°C. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It reacts readily with electrophiles and is susceptible to oxidative degradation.

How is 1,4-Benzenedithiol (CAS: 624-39-5) typically synthesized?

1,4-Benzenedithiol is typically synthesized by the reduction of 1,4-benzenedicarboxylic acid with sodium borohydride or hydrazine. The reaction involves the formation of thiol groups from the carboxylic acid groups. The yield is generally high, and the method is selective for the reduction at the aromatic ring.

What industries use 1,4-Benzenedithiol (CAS: 624-39-5)?

1,4-Benzenedithiol (CAS: 624-39-5) is used in various industries including pharmaceuticals for the synthesis of certain drugs, polymers for functional materials, and sensors for detecting various gases. It is also used in the production of thiochemical compounds and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 1,4-Benzenedithiol (CAS: 624-39-5)?

When handling 1,4-Benzenedithiol (CAS: 624-39-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its volatility and reactivity. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.