51527-19-6

Basic information

• Product Name: 2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID
• Synonyms: 5-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-ACETIC ACID;2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID;2-(5-CHLORO-3-METHYLBENZOTHIOPHENE-2-YL)ACETIC ACID;Tianafac;5-Chloro-3-methylbenzo[b]thiophene-2-acetic acid, 97%+;2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid 96%;5-Chloro-3-methylbenzothiophene-2-acetic acid;L-8109
• CAS NO: 51527-19-6
• Molecular Formula: C11H9ClO2S
• Molecular Weight: 240.71
• Mol File: 51527-19-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 177 °C
• Boiling Point: 422.78°C (rough estimate)
• Flash Point: 209.492 °C
• Appearance: /
• Density: 1.4270 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6740 (estimate)
• Storage Temp.: 2-8°C
• PKA: 3.17±0.30(Predicted)
• Water Solubility: 34.76mg/L(25 oC)
• CAS DataBase Reference: 2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID(51527-19-6)
• EPA Substance Registry System: 2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID(51527-19-6)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 51527-19-6(Hazardous Substances Data)

Usage

General Description

2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid is a chemical compound with a molecular formula C12H9ClO2S. It belongs to the family of benzoic acids and derivatives and is commonly used in the pharmaceutical industry. 2-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ACETIC ACID is a carboxylic acid consisting of a benzo[b]thiophene core with a 5-chloro-3-methyl substituent and an acetic acid moiety. It exhibits anti-inflammatory and analgesic properties and has potential applications in the treatment of pain and inflammation. Furthermore, this compound may also be used as a chemical intermediate in the synthesis of various pharmaceutical compounds.

InChI:InChI=1/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)

Relevant articles and documents

Esters and amides containing the 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetyl moiety

Compounds of the formula STR1 wherein each X, which may be identical or different from the other X, is oxygen or imino; R1 is hydrogen, fluorine, chlorine or bromine; R2 and R3, which may be identical or different from each other, are each hydrogen; unsubstituted or mono-substituted alkyl of 1 to 6 carbon atoms, where the substituent is phenyl or dialkylamino with 1 to 3 carbon atoms in each alkyl moiety; pyridyl; or cycloalkyl of 5 to 7 carbon atoms; R2 and R3, together with each other and the nitrogen atoms to which they are attached, are pyrrolidino, piperidino, hexamethyleneimino, morpholino, N-aryl-piperazino or N-(alkyl of 1 to 3 carbon atoms)-piperazino; A is cycloalkylene of 5 to 7 carbon atoms; unsubstituted or substituted alkylene of 2 to 10 carbon atoms, where the substituents are one to two alkyls of 1 to 3 carbon atoms each, one to two carbalkoxys of 2 to 4 carbon atoms each, one to two phenyls, one to four hydroxyls, one halomethyl, one hydroxymethyl, one alkanoyloxy of 1 to 18 carbon atoms, one alkanoyloxymethyl of 1 to 18 carbon atoms in the alkanoyl moiety or one STR2 where R1, R2 and R3 have the meanings previously defined; or alkylene of 2 to 10 carbon atoms interrupted by oxygen, sulfur, sulfoxide, sulfonyl, phenyl, cyclohexyl, pyridyl, piperazino or unsubstituted or substituted imino, where the substituent on the imino group is alkyl of 1 to 6 carbon atoms, phenyl or phenylalkyl of 1 to 3 carbon atoms in the alkyl moiety; B is the acyl residue of an antiphlogistic carboxylic acid; and their non-toxic, pharmacologically acceptable acid addition salts. The compounds as well as their salts are useful as anti-inflammatories.