5912-58-3

Basic information

• Product Name: a-Chloroethyl acetate
• Synonyms: 1-Acetoxy-1-chloroethane;1-Acetoxyethylchloride;1-Chloroethyl acetate;1-Chloroethyl methylthioformate;a-Chloroethyl acetate;Ethanol,1-chloro-, acetate (6CI,7CI,8CI,9CI);1-Chloroethanol acetate;Ethanol, 1-chloro-, acetate
• CAS NO: 5912-58-3
• Molecular Formula: C₄H₇ClO₂
• Molecular Weight: 122.55018
• Mol File: 5912-58-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 120-124℃
• Flash Point: 18.9±15.3℃
• Appearance: /
• Density: 1.116±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.85mmHg at 25°C
• Refractive Index: 1.409 (589.3 nm 20℃)
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility: Chloroform (Sparingly), Methanol (Slightly)
• CAS DataBase Reference: a-Chloroethyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: a-Chloroethyl acetate(5912-58-3)
• EPA Substance Registry System: a-Chloroethyl acetate(5912-58-3)

Safety Data

• Hazardous Substances Data: 5912-58-3(Hazardous Substances Data)

Usage

General Description

α-Chloroethyl acetate is a chemical compound with the formula C4H7ClO2. It is a colorless liquid with a strong, sweet odor, and is used in the synthesis of pharmaceuticals and as a solvent for cellulose acetate and certain resins. α-Chloroethyl acetate is also used in the production of pesticides, herbicides, and other agricultural chemicals. It is considered to be a hazardous chemical and should be handled with caution due to its toxic and potentially carcinogenic properties. In addition, it is also a controlled substance due to its potential use in the production of chemical weapons. Overall, α-Chloroethyl acetate is a versatile chemical with various industrial applications but must be handled and used with proper safety measures in place.

InChI:InChI=1/C4H7ClO3/c1-3(6)8-4(2,5)7/h7H,1-2H3

Upstream product

• 141-78-6 ethyl acetate 
• 56-23-5 tetrachloromethane 
• 13043-82-8 acetyl propionyl peroxide 
• 75-36-5 acetyl chloride 
• 91-17-8 decalin 
• 7782-50-5 chlorine 
• 75-07-0 acetaldehyde 

Downstream Products

• 75-36-5 acetyl chloride 
• 123-63-7 paracetaldehyde 
• 127-08-2 potassium acetate 
• 75-07-0 acetaldehyde 
• 1198298-27-9 [Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))Cl] 
• 1065614-72-3 [Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))(CHMeOOCMe)] 
• 17577-28-5 (ethoxycarbonylmethyl)triphenylphosphonium chloride 
• 105280-77-1 Acetoxyethyl 5R,3-(4-carbamoylphenoxy)-6S-(1R-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate 
• 343981-45-3 N-[(2-chloro-6-methylphenyl)carbonyl]-4-[1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine 1-(acetoxy)ethyl ester 
• 343981-48-6 N-[(2,6-dichlorophenyl)carbonyl]-4-[1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine 1-(acetoxy)ethyl ester 

Relevant articles and documents

C-H functionalization of sp3centers with aluminum: A computational and mechanistic study of the baddeley reaction of decalin

Decalin undergoes reaction with aluminum trichloride and acetyl chloride to form a tricyclic enol ether in good yield, as first reported by Baddeley. This eye-catching transformation, which may be considered to be an aliphatic Friedel-Crafts reaction, has not previously been studied mechanistically. Here we report experimental and computational studies to elucidate the mechanism of this reaction. We give supporting evidence for the proposition that, in the absence of unsaturation, an acylium ion acts as a hydride acceptor, forming a tertiary carbocation. Loss of a proton introduces an alkene, which reacts with a further acylium ion. A concerted 1,2-hydride shift/oxonium formation, followed by elimination, leads to formation of the observed product.

Chlorination of Carboxylic Acid Derivatives. IX. Liquid Phase Chlorination of Aliphatic C2-C8 Alkyl Acetates. EI Mass Spectra of Monochlorinated Esters

A series of aliphatic alkyl acetates from ethyl to octyl acetate was chlorinated in the liquid phase in order to obtain monochlorinated products.The chlorination of esters was carried out with chlorine in the liquid phase in the absence and in the presence of benzene and with sulfuryl chloride in the presence of Bz2O2.The products were determined by gas-liquid chromatography and gas-liquid chromatography-mass spectrometry.Chlorination is appreciably deactivated at the 1-position, particularly with SO2Cl2, the deactivation at the 2-position being strongest with Cl2 in the presence of benzene.The amounts of 1-chloro and ω-chloro isomers constituted the greatest disparity between the chlorination methods.The most characteristic mass spectral fragment ions of the 35 chlorinated alkyl acetates are given.