942-95-0

Basic information

• Product Name: 3-chloropropyl benzoate
• Synonyms: 3-chloropropyl benzoate
• CAS NO: 942-95-0
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.65
• Mol File: 942-95-0.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 287.5°Cat760mmHg
• Flash Point: 139.5°C
• Appearance: /
• Density: 1.156g/cm³
• Vapor Pressure: 0.00247mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: 3-chloropropyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-chloropropyl benzoate(942-95-0)
• EPA Substance Registry System: 3-chloropropyl benzoate(942-95-0)

Safety Data

• Hazardous Substances Data: 942-95-0(Hazardous Substances Data)

Usage

General Description

3-Chloropropyl benzoate, also known as benzyl 3-chloropropyl ester, is a chemical compound with the molecular formula C10H11ClO2. It is a clear, colorless liquid with a slightly sweet odor. 3-chloropropyl benzoate is commonly used as an intermediate in the production of various other chemicals, such as pharmaceuticals and fragrances. It is also used as a plasticizer and solvent in various industrial processes. 3-chloropropyl benzoate is considered to be potentially hazardous if ingested, inhaled, or comes into contact with the skin, and appropriate safety measures should be taken when handling it.

InChI:InChI=1/C10H11ClO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Upstream product

• 98-88-4 benzoyl chloride 
• 627-30-5 1-chloro-3-hydroxypropane 
• 772-01-0 2-phenyl-1,3-dioxane 
• 503-30-0 trimethylene oxide 
• 627-18-9 1-bromo-3-propanol 
• 109-70-6 1.3-chlorobromopropane 
• 65-85-0 benzoic acid 
• 120-46-7 1,3-diphenylpropanedione 
• 142-28-9 1,3-Dichloropropane 
• 100-52-7 benzaldehyde 
• 94-36-0 dibenzoyl peroxide 

Downstream Products

• 67049-61-0 1-(3-benzoyloxy-propyl)-piperidine-3-carboxylic acid ethyl ester; hydrochloride 
• 614-50-6 benzoic acid-(3-fluoro-propyl ester) 
• 67031-59-8 1-benzoyloxy-3-(benzyl-methyl-amino)-propane; hydrochloride 
• 64050-38-0 1-benzoyloxy-3-(2-pentyl-piperidino)-propane 
• 350797-51-2 1-(3-benzoyloxypropyl)-2,3-dihydroindole hydrochloride 
• 239463-72-0 5-[(2R)-2-aminopropyl]-2,3-dihydro-1-[3-(benzoyloxy)propyl]-1H-indole-7-carbonitrile 
• 885340-11-4 2,3-dihydro-1-[3-(benzoyloxy)propyl]-5-[(2R)-2-[[2-[(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile 
• 75272-93-4 4-benzoyloxybutyronitrile 

Relevant articles and documents

Synthesis of chloroesters by the reaction of ethers with acyl chlorides catalyzed by ZnO

An efficient method for the synthesis of chloroesters by the reaction of ethers with acyl chlorides catalyzed by nano-ZnO under solvent-free condition at room temperature was described. The method is compatible with a range of ethers including tricyclic ethers, tetracyclic ethers, pentacyclic ethers and hexacyclic ethers and have afforded the products with moderate to good yields. The ZnO could be reused up to three times and the product yield after three cycles is 87%.

Copper-catalyzed Csp3-O cross-coupling of unactivated alkyl halides with organic peroxides

An efficient Cu-catalyzed Csp3-O coupling of peroxides with haloalkanes is described. High yields of products were achieved under mild conditions. Significantly, in addition to primary alkyl halides, secondary alkyl halogenated hydrocarbons could also be applied to this system. The new reaction system could tolerate a wide range of organic peroxides.

Cu-catalyzed esterification reaction via aerobic oxygenation and C-C bond cleavage: An approach to α-ketoesters

The Cu-catalyzed novel aerobic oxidative esterification reaction of 1,3-diones for the synthesis of α-ketoesters has been developed. This method combines C-C σ-bond cleavage, dioxygen activation and oxidative C-H bond functionalization, as well as provides a practical, neutral, and mild synthetic approach to α-ketoesters which are important units in many biologically active compounds and useful precursors in a variety of functional group transformations. A plausible radical process is proposed on the basis of mechanistic studies.