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
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
Safety
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090
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.
N-Bromosuccinimide Price
- Product number
- B418613
- Product name
- 7-Chloro-1-benzothiophene-2-carboxylicAcid
- Packaging
- 500mg
- Price
- $175
- Updated
- 2021/12/16
- Product number
- CS-M1618
- Product name
- Benzo[b]thiophene-2-carboxylicacid,7-chloro-
- Purity
- 99.27%
- Packaging
- 1g
- Price
- $52
- Updated
- 2021/12/16
- Product number
- 047321
- Product name
- 7-Chloro-1-benzothiophene-2-carboxylic acid
- Purity
- >95%
- Packaging
- 1g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- FC135426
- Product name
- 7-Chloro-1-benzothiophene-2-carboxylic acid
- Packaging
- 250mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 6H21-5-X0
- Product name
- 7-Chlorobenzo[b]thiophene-2-carboxylic acid
- Packaging
- 1g
- Price
- $71
- Updated
- 2021/12/16
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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