4-Chloro-1-benzothiophene

Basic Information

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CAS Number

66490-33-3

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

81-82 ºC

Boiling Point

261.5±13.0°C at 760 mmHg

Density

1.349±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC2=C(C=CS2)C(=C1)Cl

InChI

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

InChIKey

YGYUMNQONHLLNC-UHFFFAOYSA-N

LogP

3.5547000000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

126

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AKOS027325155
AMY3599
Benzo[b]thiophene, 4-chloro-
DTXSID70496350
4-CHLORO-1-BENZOTHIOPHENE
4-chloro- Benzo[b]thiophene
D70776
chlorobenzo[b]thiophene
66490-33-3
SY109133
AC-29979
4-chlorobenzothiophene
4-chloro-benzo[b]thiophene
YGYUMNQONHLLNC-UHFFFAOYSA-N
EN300-7298153
FT-0765292
DS-11597
4-chlorobenzo[b]-thiophene
SB14697
CS-0097337
4-chlorobenzo[b]thiophene
SCHEMBL827532
MFCD18451627
4-chloro-1-benzothiophene
4-chloroBenzo[b]thiophene
4-Chlorobenzothiophene

MDL Number

MFCD18451627

FAQ

What is 4-Chloro-1-benzothiophene (CAS: 66490-33-3)?

4-Chloro-1-benzothiophene (CAS: 66490-33-3) is a heterocyclic aromatic organic compound with the molecular formula C8H6ClS. It is a yellow solid with a distinctive odor and is used in the pharmaceutical and chemical industries.

What are the main uses of 4-Chloro-1-benzothiophene (CAS: 66490-33-3)?

4-Chloro-1-benzothiophene (CAS: 66490-33-3) is primarily used as a precursor in the synthesis of pharmaceuticals and dyes. It also has applications in organic synthesis and as a reagent in research.

Is 4-Chloro-1-benzothiophene (CAS: 66490-33-3) safe?

4-Chloro-1-benzothiophene (CAS: 66490-33-3) is generally safe when handled with appropriate precautions. It should be stored in a well-ventilated area, away from heat and ignition sources. Protective equipment such as gloves and goggles should be worn during handling.

How should 4-Chloro-1-benzothiophene (CAS: 66490-33-3) be stored?

4-Chloro-1-benzothiophene (CAS: 66490-33-3) should be stored in a cool, dry place, protected from light and heat. It should be kept in a tightly sealed container to prevent moisture absorption and contamination.