ChemicalBook > CAS DataBase List > 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Product Name
7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
CAS No.
90407-16-2
Chemical Name
7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Synonyms
GA-0946;FS002044;7-chloro-2-benzothiophenecarboxylic acid;7-Chlorobenzothiophene-2-carboxylic acid;7-Chlorobenzo[b]thiophene-2-carboxylic acid;7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;Benzo[b]thiophene-2-carboxylic acid, 7-chloro-;2-Carboxy-7-chlorobenzo[b]thiophene, 7-Chloro-1-benzothiophene-2-carboxylic acid
CBNumber
CB3792171
Molecular Formula
C9H5ClO2S
Formula Weight
212.65
MOL File
90407-16-2.mol
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7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Property

Melting point:
289-291
Boiling point:
408.6±25.0 °C(Predicted)
Density 
1.546±0.06 g/cm3(Predicted)
storage temp. 
2-8°C(protect from light)
pka
3.27±0.30(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C9H5ClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChIKey
AAXOHLXWCUMMQS-UHFFFAOYSA-N
SMILES
C12=C(Cl)C=CC=C1C=C(C(O)=O)S2
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Safety

Hazard Codes 
Xi
HazardClass 
IRRITANT
HS Code 
2934999090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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
B418613
Product name
7-Chloro-1-benzothiophene-2-carboxylicAcid
Packaging
500mg
Price
$175
Updated
2021/12/16
ChemScene
Product number
CS-M1618
Product name
Benzo[b]thiophene-2-carboxylicacid,7-chloro-
Purity
99.27%
Packaging
5g
Price
$184
Updated
2021/12/16
Matrix Scientific
Product number
047321
Product name
7-Chloro-1-benzothiophene-2-carboxylic acid
Purity
>95%
Packaging
5g
Price
$210
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC135426
Product name
7-Chloro-1-benzothiophene-2-carboxylic acid
Packaging
2g
Price
$280
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC135426
Product name
7-Chloro-1-benzothiophene-2-carboxylic acid
Packaging
5G
Price
$437
Updated
2021/12/16
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7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production

Synthesis

68-11-1

6334-18-5

90407-16-2

Step 1: Synthesis of 7-chloro-1-benzothiophene-2-carboxylic acid In a reaction flask containing potassium hydroxide (1.3 g, 22 mmol), 2-mercaptoacetic acid (0.70 mL, 10 mmol) and 10 mL of water, 2,3-dichlorobenzaldehyde (1.8 g, 10 mmol) was added. The reaction mixture was stirred at 120 °C for 2 hours. Upon completion of the reaction, the reaction solution was cooled to room temperature and distilled water was added until the precipitated solid was completely dissolved. Subsequently, ether was added to the reaction solution and the mixture was separated into an organic layer and an aqueous layer. To the aqueous layer, 1.0 N hydrochloric acid was added dropwise to adjust the pH to 5, and then the aqueous layer was extracted with ethyl acetate. The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 7-chloro-1-benzothiophene-2-carboxylic acid (1.7 g, 82% yield) as a colorless liquid. The product was confirmed by 1H-NMR (400 MHz, DMSO-d6) and mass spectrometry (ESI): 1H-NMR δ 7.48-7.54 (1H, m), 7.62-7.70 (1H, m), 7.98-8.04 (1H, m), 8.16-8.22 (1H, m); MS (ESI) [M+H]+ 213.

References

[1] Patent: US2014/128606, 2014, A1. Location in patent: Paragraph 0078; 0079; 0080; 0081; 0082; 0083

7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Suppliers

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90407-16-2, 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACIDRelated Search:

7-chlorobenzo[b]thiophene-2-carbaldehyde 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 6-BROMO-3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 3,7-DICHLORO-6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE 6-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 4-BROMO-3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 5-chloro-1-benzothiophene-3-carboxylic acid 6-(AMINOSULFONYL)-3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 3,7-dichloro-4-(trifluoromethyl)benzo[b]thiophene-2-carboxylic acid 4-amino-3,7-dichlorobenzo[b]thiophene-2-carboxylic acid 3,5,7-trichloro-4-hydroxybenzo[b]thiophene-2-carboxylic acid 7-CHLORO-5-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 7-CHLORO-4-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 3,7-dichloro-4,5-dimethoxybenzo[b]thiophene-2-carboxylic acid 3,5,7-TRICHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

  • 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
  • 7-Chlorobenzo[b]thiophene-2-carboxylic acid
  • 7-Chlorobenzothiophene-2-carboxylic acid
  • Benzo[b]thiophene-2-carboxylic acid, 7-chloro-
  • 2-Carboxy-7-chlorobenzo[b]thiophene, 7-Chloro-1-benzothiophene-2-carboxylic acid
  • 7-chloro-2-benzothiophenecarboxylic acid
  • FS002044
  • GA-0946
  • 90407-16-2