ChemicalBook > CAS DataBase List > 4-chloro- Benzo[b]thiophene

4-chloro- Benzo[b]thiophene

Product Name
4-chloro- Benzo[b]thiophene
CAS No.
66490-33-3
Chemical Name
4-chloro- Benzo[b]thiophene
Synonyms
4-Chlorobenzothiophene;4-chloro-1-benzothiophene;4-chloro- Benzo[b]thiophene;Benzo[b]thiophene, 4-chloro-;4-chloro- Benzo[b]thiophene ISO 9001：2015 REACH
CBNumber
CB72730773
Molecular Formula
C8H5ClS
Formula Weight
168.64
MOL File
66490-33-3.mol
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4-chloro- Benzo[b]thiophene Property

Melting point:
81-82 °C
Boiling point:
0.8 °C(Press: 155-165 Torr)
Density 
1.349±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
Acetone (Slightly), Chloroform (Slightly)
form 
Clear Light Yellow Oil to White to Light Yellow Semi-Solid
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C8H5ClS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
InChIKey
YGYUMNQONHLLNC-UHFFFAOYSA-N
SMILES
C12=CC=CC(Cl)=C1C=CS2
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
C364180
Product name
4-Chlorobenzothiophene
Packaging
500mg
Price
$50
Updated
2021/12/16
TRC
Product number
C364180
Product name
4-Chlorobenzothiophene
Packaging
1g
Price
$80
Updated
2021/12/16
AK Scientific
Product number
6517CT
Product name
4-Chlorobenzo[b]thiophene
Packaging
5g
Price
$146
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC146216
Product name
4-Chlorobenzothiophene
Packaging
1g
Price
$54.6
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC146216
Product name
4-Chlorobenzothiophene
Packaging
5G
Price
$175
Updated
2021/12/16
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4-chloro- Benzo[b]thiophene Chemical Properties,Usage,Production

Uses

4-Chlorobenzothiophene is an intermediate used to prepare 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism.

Synthesis

23967-57-9

66490-33-3

General procedure for the synthesis of 4-chlorobenzo[b]thiophene from 4-chlorobenzo[b]thiophene-2-carboxylic acid: a mixture of 2-carboxy-4-chlorobenzo[b]thiophene (50.00 g), 1,3-dimethyl-2-imidazolidinone (DMI; 200 ml) and 1,8-diazabicyclo[5.4.0]undec-7-ene (140.7 ml) was prepared by heating and stirring a mixture of 1,8-diazabicyclo[5.4.0]undec-7-ene (140.7 ml) at 160- 195 °C for 6 hours with heating and stirring. After completion of the reaction, the mixture was cooled to 10°C and then slowly added to 3N hydrochloric acid (350 ml) pre-cooled to 10°C. The reaction mixture was extracted with toluene (500 ml) followed by washing the toluene layer sequentially with 3N hydrochloric acid, water, aqueous sodium bicarbonate solution, water, brine and water. After completion of washing, the toluene layer was concentrated to give 4-chlorobenzo[b]thiophene. Yield: 36.78 g. NMR hydrogen spectrum (DMSO-d6) data were as follows: δ 7.38 (1H, t, J = 8.4 Hz), 7.51 (1H, dd, J = 5.5,0.8 Hz), 7.48 (1H, dd, J = 7.7,0.9 Hz), 7.94 (1H, dd, J = 5.5,0.4 Hz), 8.02 (1H. dt, J = 8.0,0.9Hz).

References

[1] Tetrahedron Letters, 2004, vol. 45, # 52, p. 9645 - 9647
[2] Patent: WO2013/15456, 2013, A1. Location in patent: Page/Page column 41; 42

4-chloro- Benzo[b]thiophene Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-chloro- Benzo[b]thiophene manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
4-Chloro-1-benzothiophene 66490-33-3
Price
US $8.80-2.20/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2025-06-27
Henan Aochuang Chemical Co.,Ltd.
Product
4-chloro- Benzo[b]thiophene 66490-33-3
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-27
Career Henan Chemical Co
Product
4-chloro- Benzo[b]thiophene 66490-33-3
Price
US $2.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
200KG
Release date
2018-08-15

66490-33-3, 4-chloro- Benzo[b]thiopheneRelated Search:

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  • 4-chloro- Benzo[b]thiophene
  • Benzo[b]thiophene, 4-chloro-
  • 4-Chlorobenzothiophene
  • 4-chloro-1-benzothiophene
  • 4-chloro- Benzo[b]thiophene ISO 9001：2015 REACH
  • 66490-33-3