40133-13-9

Basic information

• Product Name: 5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC&
• Synonyms: 5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC&
• CAS NO: 40133-13-9
• Molecular Formula: C₁₁H₇BrO₂S
• Molecular Weight: 283.144
• Mol File: 40133-13-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 438.8°C at 760 mmHg
• Flash Point: 219.2°C
• Appearance: /
• Density: 1.637g/cm³
• Vapor Pressure: 1.79E-08mmHg at 25°C
• Refractive Index: 1.66
• CAS DataBase Reference: 5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC&(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC&(40133-13-9)
• EPA Substance Registry System: 5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC&(40133-13-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 40133-13-9(Hazardous Substances Data)

Usage

Class of organic compounds

Phenylthiophenes

Structure

Thiophene ring substituted at the 2-position by a phenyl group

Uses

Synthesis of pharmaceuticals, agrochemicals, and organic materials

Potential applications

Medicinal chemistry, drug development

Biological activities

Studied for potential biological activities

Starting material

For synthesis of biologically active compounds

InChI:InChI=1/C11H7BrO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

Upstream product

• 4559-96-0 1-(4-bromophenyl)-4-chlorobutan-1-one 
• 108-86-1 bromobenzene 
• 38401-70-6 5-(p-Bromophenyl)thiophene-2-carboxaldehyde 

Downstream Products

• 649569-57-3 methyl 5-(4-bromophenyl)thiophene-2-carboxylate 

Relevant articles and documents

Synthesis and structure-activity relationships of 5-phenylthiophenecarboxylic acid derivatives as antirheumatic agents

5-(Phenylthiophene)-3-carboxylic acid (2a), a metabolite of esonarimod (1), which was developed as a new antirheumatic drug, was considered as a lead compound for new antirheumatic drugs. A new series of 2a derivatives were synthesized and their characteristic pharmacological effects, that is their antagonistic effect toward interleukin (IL)-1 in mice and the suppressive effect against adjuvant-induced arthritis (AIA) in rats, were evaluated and compared with those of 1. The structure-activity relationships indicated that [5-(4-bromophenyl)-thiophen-3-yl]acetic acid (5d), methyl [5-(4-chlorophenyl)-thiophen-3-yl]acetate (5h), and methyl [5-(4-bromophenyl)-thiophen-3-yl]acetate (5i) suppressed AIA more potently than 1 and all of the other synthesized compounds.