1871-38-1

Basic information

• Product Name: phenyl 4-chlorobenzoate
• Synonyms: phenyl 4-chlorobenzoate
• CAS NO: 1871-38-1
• Molecular Formula: C₁₃H₉ClO₂
• Molecular Weight: 232.66
• Mol File: 1871-38-1.mol
• Article Data: 52

Chemical Properties

• Boiling Point: 356.5°Cat760mmHg
• Flash Point: 185.2°C
• Appearance: /
• Density: 1.258g/cm³
• Vapor Pressure: 2.91E-05mmHg at 25°C
• Refractive Index: 1.594
• CAS DataBase Reference: phenyl 4-chlorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: phenyl 4-chlorobenzoate(1871-38-1)
• EPA Substance Registry System: phenyl 4-chlorobenzoate(1871-38-1)

Safety Data

• Hazardous Substances Data: 1871-38-1(Hazardous Substances Data)

Usage

General Description

Phenyl 4-chlorobenzoate, also known as 4-chlorophenyl benzoate, is a chemical compound with the molecular formula C13H9ClO2. It is a white crystalline substance that is primarily used as an intermediate in the production of pharmaceuticals, agricultural chemicals, and other organic compounds. The presence of the chlorine atom in the molecule provides it with unique properties and reactivity, making it a valuable building block in chemical synthesis. Phenyl 4-chlorobenzoate is also utilized as a starting material for the synthesis of dyes and pigments, as well as in the formulation of fragrances and flavors. It is important to handle this compound with care, as it may pose health hazards if not properly managed.

InChI:InChI=1/C13H9ClO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H

Upstream product

• 6264-29-5 4-nitrophenyl 4-chlorobenzoate 
• 3229-70-7 phenolate 
• 74-11-3 para-chlorobenzoic acid 
• 98-80-6 phenylboronic acid 
• 104-88-1 4-chlorobenzaldehyde 
• 108-95-2 phenol 
• 5123-13-7 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane 
• 26838-86-8 pyridine-2-carboxylic acid phenyl ester 
• 2751-90-8 tetraphenylphosphonium bromide 
• 73686-49-4 4-Chloro-benzoic acid pyridin-2-yl ester 
• 591-50-4 iodobenzene 
• 50-00-0 formaldehyd 
• 637-87-6 1-Chloro-4-iodobenzene 
• 1864-94-4 phenyl formate 

Downstream Products

• 79146-99-9 4-chloro-N-(thiazol-2-yl)benzamide 
• 37904-52-2 (4-chloro-benzoyl)-(4-nitro-benzenesulfonyl)-amine 
• 42019-78-3 4-chloro-4'-hydroxybenzophenone 
• 2985-79-7 4'-chloro-2-hydroxybenzophenone 
• 6833-15-4 4-chlorobenzanilide 
• 555-24-8 lithium phenolate 
• 4181-97-9 phenyl 4-methoxybenzoate 
• 78322-97-1 phenyl [1,1′-biphenyl]-4-carboxylate 
• 1258145-47-9 S-(4-methoxyphenyl) 4-chlorobenzothioate 
• 873-76-7 para-Chlorobenzyl alcohol 
• 108-95-2 phenol 
• 74-11-3 para-chlorobenzoic acid 
• 52890-73-0 4-(4-chloro-benzyl)-phenol 
• 104-88-1 4-chlorobenzaldehyde 

Relevant articles and documents

Mechanically induced solvent-free esterification method at room temperature

Herein, we describe two novel strategies for the synthesis of esters, as achieved under high-speed ball-milling (HSBM) conditions at room temperature. In the presence of I2 and KH2PO2, the reactions afford the desired esterification derivatives in 45% to 91% yields within 20 min of grinding. Meanwhile, using KI and P(OEt)3, esterification products can be obtained in 24% to 85% yields after 60 min of grinding. In addition, the I2/KH2PO2 protocol was successfully extended to the late-stage diversification of natural products showing the robustness of this useful approach. Further application of this method in the synthesis of inositol nicotinate was also discussed. This journal is

Hydrogen-bond-assisted transition-metal-free catalytic transformation of amides to esters

The amide C-N cleavage has drawn a broad interest in synthetic chemistry, biological process and pharmaceutical industry. Transition-metal, luxury ligand or excess base were always vital to the transformation. Here, we developed a transition-metal-free hydrogen-bond-assisted esterification of amides with only catalytic amount of base. The proposed crucial role of hydrogen bonding for assisting esterification was supported by control experiments, density functional theory (DFT) calculations and kinetic studies. Besides broad substrate scopes and excellent functional groups tolerance, this base-catalyzed protocol complements the conventional transition-metal-catalyzed esterification of amides and provides a new pathway to catalytic cleavage of amide C-N bonds for organic synthesis and pharmaceutical industry. [Figure not available: see fulltext.]