2-Chloroethyl chloroacetate

Base Information

• Chemical Name: 2-Chloroethyl chloroacetate
• CAS No.: 3848-12-2
• Molecular Formula: C4H6 Cl2 O2
• Molecular Weight: 156.996
• NSC Number: 42922
• DSSTox Substance ID: DTXSID50191795
• Nikkaji Number: J375.147C
• Wikidata: Q83064372
• Mol file: 3848-12-2.mol

Synonyms:2-chloroethyl chloroacetate;3848-12-2;Acetic acid, chloro-, 2-chloroethyl ester;2-chloroethyl 2-chloroacetate;NSC42922;SCHEMBL10836462;DTXSID50191795;XPUCYTFPMSEFIN-UHFFFAOYSA-N;NSC 42922;NSC-42922;AKOS006386499;chloro-acetic acid 2-chloro-ethyl ester;AI3-18412

Chemical Property of 2-Chloroethyl chloroacetate

Chemical Property:

• Vapor Pressure: 0.235mmHg at 25°C
• Refractive Index: 1.4619 (estimate)
• Boiling Point: 206.6°Cat760mmHg
• Flash Point: 91.4°C
• PSA: 26.30000
• Density: 1.299g/cm³
• LogP: 1.00720
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 155.9744848
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)OC(=O)CCl

Technology Process of 2-Chloroethyl chloroacetate

There total 13 articles about 2-Chloroethyl chloroacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

monochloroacetaldehyde diethylenechlorohydrin acetal (5409-75-6) → 2-chloro-1-acetoxyethane (542-58-5) + Chloro-acetic acid 2-chloro-ethyl ester (3848-12-2)

Guidance literature:

With caro's acid; acetic acid; at 34.85 ℃; Rate constant; Kinetics; Thermodynamic data; var. temp.; ΔH(excit.), ΔS(excit.), ΔG(excit.);

Reference yield:

→ Chloro-acetic acid 2-chloro-ethyl ester (3848-12-2)

Guidance literature:

With hydrogenchloride;

Reference yield:

C10H10Cl2HgO2 → Chloro-acetic acid 2-chloro-ethyl ester (3848-12-2)

Guidance literature:

In xylene; Heating;

DOI:10.1021/ja01035a026

upstream raw materials:

ethene

ethyl acetate

chloroacetic acid

2-chloro-ethanol

Downstream raw materials:

chloroacetic acid

fluoro-acetic acid-(2-fluoro-ethyl ester)

Refernces

• 1、 Kophornen, Ilpo O. O.. "Chlorination of Carboxylic Acid Derivatives. X. Chlorine Substitution on the Alcohol Chain of Aliphatic C2-C8 Alkyl Chloro-, Dichloro- and Trichloroacetates". . p. 721 - 724. Retrieved 2007/10/02.