88382-51-8

Basic information

• Product Name: 4-(4-CHLORO-PHENYLSULFANYLMETHYL)-BENZOIC ACID
• Synonyms: 4-(4-CHLORO-PHENYLSULFANYLMETHYL)-BENZOIC ACID;4-(((4-Chlorophenyl)thio)methyl)benzoic acid;4-[[(4-chlorophenyl)thio]methyl]benzoic acid;4-{[(4-chlorophenyl)thio]methyl}benzoic acid
• CAS NO: 88382-51-8
• Molecular Formula: C₁₄H₁₁ClO₂S
• Molecular Weight: 278.75
• Mol File: 88382-51-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 453.7°C at 760 mmHg
• Flash Point: 228.2°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 5.07E-09mmHg at 25°C
• Refractive Index: 1.665
• PKA: 4.17±0.10(Predicted)
• CAS DataBase Reference: 4-(4-CHLORO-PHENYLSULFANYLMETHYL)-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-CHLORO-PHENYLSULFANYLMETHYL)-BENZOIC ACID(88382-51-8)
• EPA Substance Registry System: 4-(4-CHLORO-PHENYLSULFANYLMETHYL)-BENZOIC ACID(88382-51-8)

Safety Data

• Hazardous Substances Data: 88382-51-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H11ClO2S/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)

Upstream product

• 1642-81-5 p-(chloromethyl)benzoic acid 
• 18803-44-6 sodium p-chlorothiophenolate 
• 6232-88-8 4-bromomethylbenzoic Acid 
• 106-54-7 p-Chlorothiophenol 

Downstream Products

• 110046-32-7 4-(4-Chloro-benzenesulfinylmethyl)-benzoic acid 
• 110046-39-4 4-<((4'-Chlorophenyl)sulfonyl)methyl>benzoic acid 

Relevant articles and documents

Thioether-based 2-aminobenzamide derivatives: Novel HDAC inhibitors with potent in vitro and in vivo antitumor activity

Previously, we focused on a series of 2-aminobenzamide-based histone deacetylase (HDAC) inhibitors, compound 9 of which displayed potent HDAC inhibitory activity against HDAC1 and HDAC2, and moderate anti-proliferative activity against several cancer cell

Kinetics of the reaction of sodium arylthiolates with nitro-carboxybenzyl halide derivatives

The rate constants for the reactions of 4-halomethyl-3-nitrobenzoic acids, the nonnitro derivatives, and their ethyl esters with arylthiolates were measured at different temperatures. It was found that the retardation in rate constants compared to benzyl halides is due to the electrostatic repulsion between the electronegative substituents (COO- and/or NO2) in the substrates and thiolate ions Good correlations between log K2 values of the acids and carbon basicities of thiolates were found while log k2 values of the esters show good straight lines with Hammett a constants, pKa. and carbon basicities of arylthiolates.