Acryloyl chloride, 2-chloro-

Base Information

• Chemical Name: Acryloyl chloride, 2-chloro-
• CAS No.: 21369-76-6
• Molecular Formula: C3H2Cl2O
• Molecular Weight: 124.954
• Hs Code.: 2916190090
• European Community (EC) Number: 827-593-6
• DSSTox Substance ID: DTXSID90175630
• Nikkaji Number: J73.376H
• Wikidata: Q83045972
• Mol file: 21369-76-6.mol

Synonyms:2-chloroprop-2-enoyl chloride;21369-76-6;ACRYLOYL CHLORIDE, 2-CHLORO-;2-Chloroacrylloyl chloride;2-Chloro-2-propenoyl chloride;alpha-Chloroacrylic acid chloride;2-Chloroacrylylchloride;alpha-Chloroacryloyl chloride;2-Propenoyl chloride, 2-chloro-;BRN 1740700;2-chloroacryloyl chloride;2-Chloropropenoyl chloride;SCHEMBL690502;DTXSID90175630;EN300-260372

Chemical Property of Acryloyl chloride, 2-chloro-

Chemical Property:

• Vapor Pressure: 26.8mmHg at 25°C
• Boiling Point: 107.7°Cat760mmHg
• Flash Point: 40.6°C
• PSA: 17.07000
• Density: 1.345g/cm³
• LogP: 1.50430
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.9482701
• Heavy Atom Count: 6
• Complexity: 86.8

Purity/Quality:

99%, ^*data from raw suppliers

2-CHLOROACRYLOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(=O)Cl)Cl

Technology Process of Acryloyl chloride, 2-chloro-

There total 10 articles about Acryloyl chloride, 2-chloro- 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: 59.0%

2,3,3-trichloro-2-propen-1-ol (3266-39-5) → α-chloroacryloyl chloride (21369-76-6)

Guidance literature:

With sulfuric acid; at 80 ℃; under 18 Torr;

DOI:10.1007/BF00954254

Reference yield:

2-Chloroacrylic acid (598-79-8) → α-chloroacryloyl chloride (21369-76-6)

Guidance literature:

With N,N-dimethyl-formamide;

Reference yield:

2,3-dichloropropionyl chloride (7623-13-4) → α-chloroacryloyl chloride (21369-76-6)

Guidance literature:

With N,N-diethylaniline; under 70 - 80 Torr;

upstream raw materials:

2-Chloroacrylic acid

benzoyl chloride

2,3-dichloropropionyl chloride

N,N-diethylaniline

Downstream raw materials:

2-chloro-acrylic acid-(4-cyclohexyl-phenyl ester)

3-chloro-6-ethylsulfanyl-5-(4-fluoro-benzoyl)-1-phenyl-3,4-dihydro-1H-pyridin-2-one

(2S,3aS,4R,7R,7aS)-7-bromo-3a,4,7,7a-tetrahydro-2-phenyl-4,7-ethano-1,3-benzodioxol-8-one

1-Chloro-2,2-dimethyl-4-phenyl-cyclohex-3-enecarbonyl chloride

Refernces

• 1、 Zhao, Bingbing,Zhao, Chengwu,Hu, Xiaohan,Xu, Shan,Lan, Zhou,Guo, Yuping,Yang, Zunhua,Zhu, Wufu,Zheng, Pengwu. "Design, synthesis and 3D-QSAR analysis of novel thiopyranopyrimidine derivatives as potential antitumor agents inhibiting A549 and Hela cancer cells". . . Retrieved 2020.
• 2、 Zhao, Bingbing,Xiao, Zhen,Qi, Jianguo,Luo, Rong,Lan, Zhou,Zhang, Yanzhuo,Hu, Xiaohan,Tang, Qidong,Zheng, Pengwu,Xu, Shan,Zhu, Wufu. "Design, synthesis and biological evaluation of AZD9291 derivatives as selective and potent EGFRL858R/T790M inhibitors". . p. 367 - 380. Retrieved 2018/12/13.