6-Chloro-1-benzothiophene

Basic Information

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CAS Number

66490-20-8

Molecular Formula

C8H5ClS

Molecular Weight

168.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

42-43 ºC

Density

1.349±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC(=CC2=C1C=CS2)Cl

InChI

InChI=1S/C8H5ClS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H

InChIKey

APAMKXUATGRDBB-UHFFFAOYSA-N

LogP

3.5547000000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

126

Synonyms & References

English

DTXSID60496349
A923826
MFCD18451626
APAMKXUATGRDBB-UHFFFAOYSA-N
AS-40779
FT-0722312
AKOS025402936
6-chlorobenzo[b]thiophene
66490-20-8
SCHEMBL156335
SY322717
6-Chlorobenzothiophene
6-chloro-1-benzothiophene
CS-0119377
Benzo[b]thiophene, 6-chloro-
6-Chloro-1-benzothiophene
6-chloroBenzo[b]thiophene
Benzo[b]thiophene, 6-chloro

MDL Number

MFCD18451626

FAQ

What are the physical and chemical properties of 6-Chloro-1-benzothiophene (CAS: 66490-20-8)?

6-Chloro-1-benzothiophene is a crystalline solid with a molecular weight of approximately 183.02 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. This compound exhibits good reactivity in electrophilic aromatic substitution reactions. It is a key intermediate in the synthesis of various derivatives and is often used in organic synthesis and as a starting material for pharmaceuticals and dyes.

How is 6-Chloro-1-benzothiophene (CAS: 66490-20-8) typically synthesized?

6-Chloro-1-benzothiophene is commonly synthesized via the chlorination of 1-benzothiophene in the presence of thionyl chloride. This process yields the compound with good selectivity and high yield. The reaction typically requires mild conditions and is carried out in an inert atmosphere to prevent side reactions.

What industries use 6-Chloro-1-benzothiophene (CAS: 66490-20-8)?

6-Chloro-1-benzothiophene is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various drugs and is also used in the production of functional polymers. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 6-Chloro-1-benzothiophene (CAS: 66490-20-8)?

When handling 6-Chloro-1-benzothiophene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood due to its potential respiratory hazards. Spills should be cleaned up using appropriate chemicals and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.