ChemicalBook > CAS DataBase List > 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Product Name: 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
CAS No.: 23967-57-9
Chemical Name: 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Synonyms: FMX14276-A3;IFLAB-BB F2124-0584;Brexpiprazole Impurity 28;4-chloro-1-benzothiophene-2-carboxylate;4-chloro-2-benzothiophenecarboxylic acid;4-Chlorobenzothiophene-2-carboxylic acid;4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;Benzo[b]thiophene-2-carboxylic acid, 4-chloro-;N-?[N-?(N-?glycylglycyl)?glycyl]?-?5-?L-?β-?asparticacid-?8-?L-?lysine-Vasopressin
CBNumber: CB6780539
Molecular Formula: C9H5ClO2S
Formula Weight: 212.65
MOL File: 23967-57-9.mol

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4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Property

Melting point:: 220-223
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: 3.28±0.30(Predicted)
form: Crystalline Powder
color: White to off-white
InChI: InChI=1S/C9H5ClO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey: IPAXPERGAMNMIJ-UHFFFAOYSA-N
SMILES: C12=CC=CC(Cl)=C1C=C(C(O)=O)S2

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Safety

Hazard Codes: Xi,Xn
Risk Statements: 22-36
Safety Statements: 26
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.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical

Product number: C3430
Product name: 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
Purity: >97.0%(GC)
Packaging: 1g
Price: $88
Updated: 2025/07/31

TCI Chemical

Product number: C3430
Product name: 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
Purity: >97.0%(GC)
Packaging: 5g
Price: $352
Updated: 2025/07/31

TRC

Product number: C364160
Product name: 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
Packaging: 5g
Price: $195
Updated: 2021/12/16

Matrix Scientific

Product number: 047319
Product name: 4-Chloro-1-benzothiophene-2-carboxylic acid
Purity: >95%
Packaging: 1g
Price: $228
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC135429
Product name: 4-Chloro-1-benzothiophene-2-carboxylic acid
Packaging: 2g
Price: $235
Updated: 2021/12/16

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4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production

Uses

4-Chlorobenzo[b]thiophene-2-carboxylic Acid is an intermediate used to prepare histone deacetylase inhibitors.

Synthesis

35212-95-4

23967-57-9

General procedure for the synthesis of 4-chlorobenzo[b]thiophene-2-carboxylic acid from methyl 4-chlorobenzo[b]thiophene-2-carboxylate: Methyl 4-chlorobenzo[b]thiophene-2-carboxylate (1.0 g, 4.44 mmol) and LiOH-H2O (0.56 g, 13.3 mmol) were mixed in a solvent mixture of methanol (30 mL) and water (10 mL), and the reaction was carried out at room temperature. The reaction was carried out overnight. After completion of the reaction, the reaction mixture was concentrated under vacuum and the residue was diluted with ice water (20 mL). The aqueous phase was acidified with dilute hydrochloric acid solution to pH=1. The acidified mixture was extracted with ethyl acetate (15 mL x 3). The organic layers were combined, washed with saturated brine, dried over anhydrous Na2SO4, and the solvent was evaporated under vacuum to give 4-chlorobenzo[b]thiophene-2-carboxylic acid as a white solid (0.94 g, 100% yield).1H NMR (400 MHz, CDCl3) δ 8.10-8.02 (m, 2H), 7.61-7.51 (m, 2H).

References

[1] Patent: WO2012/155352, 2012, A1. Location in patent: Page/Page column 50
[2] Patent: WO2012/155676, 2012, A1. Location in patent: Page/Page column 54
[3] Patent: WO2012/158396, 2012, A1. Location in patent: Page/Page column 54
[4] Patent: WO2016/191366, 2016, A1. Location in patent: Page/Page column 35
[5] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4793 - 4807

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

Raw materials

Preparation Products

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

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View Lastest Price from 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID manufacturers

Career Henan Chemical Co

Product: 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 23967-57-9
Price: US $6.60/KG
Min. Order: 1KG
Purity: 97%-99%
Supply Ability: 1kg-1000kg
Release date: 2019-12-25

23967-57-9, 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACIDRelated Search:

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4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

IFLAB-BB F2124-0584

4-Chlorobenzothiophene-2-carboxylic acid

4-chloro-2-benzothiophenecarboxylic acid

4-chloro-1-benzothiophene-2-carboxylate

FMX14276-A3

Brexpiprazole Impurity 28

Benzo[b]thiophene-2-carboxylic acid, 4-chloro-

N-?[N-?(N-?glycylglycyl)?glycyl]?-?5-?L-?β-?asparticacid-?8-?L-?lysine-Vasopressin

23967-57-9