310466-37-6

Basic information

• Product Name: 4-Fluorobenzothiophene-2-carboxylic acid
• Synonyms: 4-Fluorobenzothiophene-2-carboxylic acid;4-fluorobenzo[b]thiophene-2-carboxylic acid;4-Fluorobenzo[b]thiophen-2-carboxylic acid;Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-;4-Fluorobenzothiophene-2-carboxylic acid 4-Fluorobenzo[b]thiophen-2-carboxylic acid
• CAS NO: 310466-37-6
• Molecular Formula: C₉H₅FO₂S
• Molecular Weight: 196.2
• Mol File: 310466-37-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 217-220°
• Boiling Point: 379.4°C at 760 mmHg
• Flash Point: 183.2°C
• Appearance: /
• Density: 1.511
• Vapor Pressure: 1.98E-06mmHg at 25°C
• Refractive Index: 1.686
• Storage Temp.: 2-8°C
• PKA: 3.36±0.30(Predicted)
• CAS DataBase Reference: 4-Fluorobenzothiophene-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluorobenzothiophene-2-carboxylic acid(310466-37-6)
• EPA Substance Registry System: 4-Fluorobenzothiophene-2-carboxylic acid(310466-37-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 310466-37-6(Hazardous Substances Data)

Usage

General Description

4-Fluorobenzothiophene-2-carboxylic acid is a chemical compound with a molecular formula C9H5FO2S. It is a heterocyclic aromatic compound containing a benzene ring fused to a thiophene ring and is substituted with a carboxylic acid group at the 2-position and a fluorine atom at the 4-position. 4-Fluorobenzothiophene-2-carboxylic acid has potential applications in pharmaceutical and organic synthesis as a building block or intermediate for the production of various pharmaceuticals and agrochemicals. Its structural features make it a valuable starting material for the synthesis of diverse heterocyclic compounds, and its unique properties may also make it useful in the development of new materials with specific properties.

InChI:InChI=1/C9H5FO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

Upstream product

• 1263280-02-9 ethyl 4-fluorobenzo[b]thiophene-2-carboxylate 
• 437-81-0 2,6-difluorobenzaldehyde 
• 220180-55-2 methyl 4-fluorobenzo[b]thiophene-2-carboxylate 

Downstream Products

• 310466-38-7 4-fluorobenzo[b]thiophene 
• 1203228-01-6 C₂₀H₁₉FN₂OS 
• 957059-61-9 (4-fluoro-benzo[b]thiophen-2-yl)-methanol 
• 220180-55-2 methyl 4-fluorobenzo[b]thiophene-2-carboxylate 

Relevant articles and documents

Enantioselective Synthesis of Five-Membered-Ring Atropisomers with a Chiral Rh(III) Complex

Axially chiral atropisomeric compounds are widely applied in asymmetric catalysis and medicinal chemistry, and efficient methods for their synthesis are in high demand. This applies in particular to atropisomers derived from five-membered aromatic rings because their lower barrier for rotation among the biaryl axis limits their asymmetric synthesis. We report here an enantioselective C-H functionalization method using our chiral RhJasCp complex for the synthesis of the biaryl atropisomer types that can be accessed from three different five-membered-ring heterocycles.

Design and development of cyclometalated ruthenium complexes containing thiophenyl-pyridine ligand for dye-sensitized solar cells

Two new cyclometalated ruthenium sensitizers NC102 (1) and NC103 (2), where the two NCS- ligands of the N3 analog were replaced with the 2-thiophen-2-yl-pyridine and 2-benzo[b]thiophen-2-yl-pyridine ligands, respectively, were designed and synthesized for dye-sensitized solar cell applications. The effects of these two ligands on the photophysical behavior of ruthenium complexes were investigated by their optical, electrochemical, and photovoltaic properties. The sensitizer NC103 (2) with the fluoride substitution in the ligand exhibited the best cell performance with a short-circuit current (Jsc) of 9.45 mA/cm2, an open-circuit voltage (V oc) of 630 mV, and a fill factor (FF) of 0.71, giving an overall power conversion efficiency of (η) 4.22% under simulated AM 1.5 irradiation.