6961-42-8

Basic information

• Product Name: 4-chlorophenyl 4-chlorobenzoate
• Synonyms: 4-Chlorophenyl 4-chlorobenzoate; benzoic acid, 4-chloro-, 4-chlorophenyl ester
• CAS NO: 6961-42-8
• Molecular Formula: C₁₃H₈Cl₂O₂
• Molecular Weight: 267.1074
• Mol File: 6961-42-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 383.4°C at 760 mmHg
• Flash Point: 160°C
• Density: 1.357g/cm³
• Vapor Pressure: 4.4E-06mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: 4-chlorophenyl 4-chlorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chlorophenyl 4-chlorobenzoate(6961-42-8)
• EPA Substance Registry System: 4-chlorophenyl 4-chlorobenzoate(6961-42-8)

Safety Data

• Hazardous Substances Data: 6961-42-8(Hazardous Substances Data)

Upstream product

• 122-01-0 4-chloro-benzoyl chloride 
• 106-48-9 4-chloro-phenol 
• 74-11-3 para-chlorobenzoic acid 
• 6264-29-5 4-nitrophenyl 4-chlorobenzoate 
• 24573-38-4 4-chlorophenolate 
• 7553-56-2 iodine 
• 108-90-7 chlorobenzene 
• 1679-18-1 4-Chlorophenylboronic acid 
• 104-88-1 4-chlorobenzaldehyde 

Downstream Products

• 1121-75-1 lithium 4-chlorophenolate 
• 61785-37-3 (5-chloro-2-hydroxy-phenyl)-(4-chloro-phenyl)-methanone 
• 1186436-48-5 [5-chloro-2-(4-nitro-benzyloxy)-phenyl] (4-chloro-phenyl) methanone 
• 1387574-39-1 4-chlorophenyl nonanate 
• 62066-31-3 4-[2-(4-chlorophenyl)-2-oxoethyl]benzonitrile 
• 2005-08-5 4-chlorophenyl benzoate 

Relevant articles and documents

Studies of hydrogen isotope scrambling during the dehalogenation of aromatic chloro-compounds with deuterium gas over palladium catalysts

Catalytic dehalogenation of aromatic halides using isotopic hydrogen gas is an important strategy for labelling pharmaceuticals, biochemicals, environmental agents and so forth. To extend, improve and further understand this process, studies have been carried out on the scrambling of deuterium isotope with protium during the catalytic deuterodehalogenation of model aryl chlorides using deuterium gas and a palladium on carbon catalyst in tetrahydrofuran solution. The degree of scrambling was greatest with electron-rich chloroarene rings. The tetrahydrofuran solvent and the triethylamine base were not the source of the undesired protium; instead, it arose, substantially, from the water content of the catalyst, though other sources of protium may also be present on the catalyst. Replacement of the Pd/C catalyst with one prepared in situ by reduction of palladium trifluoroacetate with deuterium gas and dispersed upon micronised polytetrafluoroethylene led to much reduced scrambling (typically 0–6% compared with up to 40% for palladium on carbon) and to high atom% abundance, regiospecific labelling. The improved catalytic system now enables efficient polydeuteration via the dehalogenation of polyhalogenated precursors, making the procedure viable for the preparation of MS internal standards and, potentially, for high specific activity tritium labelling.

Preparation of benzoyloxy benzophenone derivatives and their inhibitory effects of ICAM-1 expression

Benzoyloxy benzophenone derivatives were prepared in 3 steps including DCC coupling, Fries rearrangement and esterification from benzoic acids in 24-89% total yields. Among the prepared 12 benzophenone analogues 1a-1l, the compound 1b having three chloro groups at the para position showed maximum inhibitory effects of ICAM-1 expression but, 1a which have no substituents at all showed no inhibitory activity. This study provides the evidences that benzoyloxy benzophenone derivative, 1b may exert its anti-inflammatory activity by suppressing IFN-γ-induced ICAM-1 expression.

Synthesis and crystal structure of [5-chloro-2-(4-nitrobenzyloxy)-phenyl]- (4-chloro-phenyl) methanone

The title compound, C20H13Cl2NO 4, crystallizes in the monoclinic crystal system and space group P21/n with cell parameters a = 9.434(2) A, b = 13.167(3) A, c = 15.087(4) A, β = 105.289(8)°, V = 1807.