142329-22-4

Basic information

• Product Name: 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
• Synonyms: 6-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;6-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid, 2-Carboxy-6-(trifluoromethyl)benzo[b]thiophene
• CAS NO: 142329-22-4
• Molecular Formula: C₁₀H₅F₃O₂S
• Molecular Weight: 246.21
• Mol File: 142329-22-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 198-201
• Boiling Point: 369.6°C at 760 mmHg
• Flash Point: 177.3°C
• Appearance: /
• Density: 1.547g/cm³
• Vapor Pressure: 4.07E-06mmHg at 25°C
• Refractive Index: 1.599
• Storage Temp.: 2-8°C
• PKA: 3.22±0.30(Predicted)
• CAS DataBase Reference: 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(142329-22-4)
• EPA Substance Registry System: 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(142329-22-4)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 142329-22-4(Hazardous Substances Data)

Usage

General Description

6-Trifluoromethyl-benzo[b]thiophene-2-carboxylic acid is a chemical compound with a molecular formula of C10H5F3O2S. It is a carboxylic acid derivative of benzo[b]thiophene, which is a heterocyclic compound with a thiophene ring fused to a benzene ring. The trifluoromethyl group attached to the benzo[b]thiophene core provides unique properties and potential applications in pharmaceuticals and materials science. 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID is used in the synthesis of various pharmaceutical agents and building blocks for organic synthesis. Additionally, its unique structure and properties make it an interesting target for research and development in the field of medicinal chemistry and drug discovery.

InChI:InChI=1/C10H5F3O2S/c11-10(12,13)6-2-1-5-3-8(9(14)15)16-7(5)4-6/h1-4H,(H,14,15)

Upstream product

• 89763-93-9 2-Fluoro-4-(trifluoromethyl)benzaldehyde 
• 1132650-51-1 ethyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate 
• 863118-41-6 6-trifluoromethylbenzo[b]thiophene-2-carboxylic acid methyl ester 

Relevant articles and documents

Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents

To discover antifungal compounds with broad-spectrum and stable metabolism, a series of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives was designed and synthesized. Compounds A30-A34 exhibited excellent broad-spectrum antifungal activity against Candida albicans with MIC values in the range of 0.03–0.5 μg/mL, and against Cryptococcus neoformans and Aspergillus fumigatus with MIC values in the range of 0.25–2 μg/mL. In addition, compounds A31 and A33 showed high metabolic stability in human liver microsomes in vitro, with the half-life of 80.5 min and 69.4 min, respectively. Moreover, compounds A31 and A33 showed weak or almost no inhibitory effect on the CYP3A4 and CYP2D6. The pharmacokinetic evaluation in SD rats showed that compound A31 had suitable pharmacokinetic properties and was worthy of further study.

METHOD FOR PROMOTING PLANT GROWTH

Disclosed is a method for promoting the growth of a plant, comprising treating the plant with an effective amount of a compound represented by the following formula (1):, wherein any one of R1, R2, R3 and R4 represents a trifluoromethyl group, and the others represent a hydrogen atom, or an agriculturally acceptable salt thereof.

CHEMICAL COMPOUNDS

A compound of formula (I) and pharmaceutically acceptable salts and solvates and hydrolysable esters thereof.