2-Chloroacrolein

Base Information

• Chemical Name: 2-Chloroacrolein
• CAS No.: 683-51-2
• Molecular Formula: C3H3ClO
• Molecular Weight: 90.5092
• Hs Code.: 2913000090
• UNII: 6Z73YCD248
• DSSTox Substance ID: DTXSID30987830
• Nikkaji Number: J66.951B
• Wikidata: Q27265762
• Mol file: 683-51-2.mol

Synonyms:2-chloroacrolein;alpha-chloroacrolein

Chemical Property of 2-Chloroacrolein

Chemical Property:

• Vapor Pressure: 296mmHg at 25°C
• Boiling Point: 49.7°C at 760 mmHg
• PSA: 17.07000
• Density: 1.062g/cm³
• LogP: 0.93780
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 89.9872424
• Heavy Atom Count: 5
• Complexity: 57.9

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C(C=O)Cl

Technology Process of 2-Chloroacrolein

There total 4 articles about 2-Chloroacrolein 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:

3-(1-chloroethenyl)-1,2,4-trioxolane (105949-84-6) → 2-Chloroacrylic acid (598-79-8) + 2-chloro-2-propenal (683-51-2)

Guidance literature:

With dimethylsulfide; In chloroform-d1; at 0 ℃; for 2h; Yield given. Yields of byproduct given;

Reference yield:

cis-1,3-Dichloropropene epoxide → 2-chloro-2-propenal (683-51-2) + 2,3-dichloropropanal (10140-89-3)

Guidance literature:

With dimethylsulfoxide-d6; at 22 ℃; Kinetics;

DOI:10.1021/tx980126y

Reference yield:

trans-1,3-Dichloropropene epoxide → 2-chloro-2-propenal (683-51-2) + 2,3-dichloropropanal (10140-89-3)

Guidance literature:

With dimethylsulfoxide-d6; at 22 ℃; Kinetics;

DOI:10.1021/tx980126y

upstream raw materials:

5-chloro-3,4-dihydro-2H-pyran

3-(1-chloroethenyl)-1,2,4-trioxolane

Downstream raw materials:

2-chloro-3,3-bis-trans-crotonoyloxy-propene

1,1,2-trichloroethane

2-chloro-1,1,3-triethoxy-propane

2-Chloroacrylic acid

Refernces

• 1、 Griesbaum, Karl,Bandyopadhyay, Ashis R.,Meister, Martin. "Monoozonides of chloro-substituted conjugated dienes: preparation, stability, and some chemical reactions". . p. 1553 - 1559. Retrieved 2007/10/02.