2,3,3-Trichloropropenal

Base Information

• Chemical Name: 2,3,3-Trichloropropenal
• CAS No.: 3787-28-8
• Molecular Formula: C3H Cl3 O
• Molecular Weight: 159.399
• Hs Code.: 2913000090
• European Community (EC) Number: 684-365-7
• UNII: HJQ59JSM89
• DSSTox Substance ID: DTXSID20191303
• Nikkaji Number: J66.953I
• Mol file: 3787-28-8.mol

Synonyms:2,3,3-Trichloropropenal;2,3,3-Trichloro-2-propenal;2,3,3-Trichloroacrolein;2-Propenal, 2,3,3-trichloro-;3787-28-8;CCRIS 7473;ACROLEIN, 2,3,3-TRICHLORO-;BRN 1745438;HJQ59JSM89;2,3,3-Trichloroacrylaldehyde;4-01-00-03441 (Beilstein Handbook Reference);2,3,3-trichloroprop-2-enal;C3HCl3O;UNII-HJQ59JSM89;C3-H-Cl3-O;SCHEMBL8136880;DTXSID20191303;AKOS006271599

Chemical Property of 2,3,3-Trichloropropenal

Chemical Property:

• Vapor Pressure: 0.689mmHg at 25°C
• Refractive Index: 1.4861 (estimate)
• Boiling Point: 185.7°Cat760mmHg
• Flash Point: 71.1°C
• PSA: 17.07000
• Density: 1.551g/cm³
• LogP: 2.07080
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.909298
• Heavy Atom Count: 7
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

2,3,3-TRICHLOROPROPENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=O)C(=C(Cl)Cl)Cl

Technology Process of 2,3,3-Trichloropropenal

There total 6 articles about 2,3,3-Trichloropropenal 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: 53.0%

1,1,2,4,4-pentachloro-1,3-butadiene (21400-41-9) → trichloro-acrylaldehyde (3787-28-8) + pentachloro-2-nitro-1,3-butadiene (61351-34-6)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1055/s-2006-950187

Reference yield:

1,1,2,3,3-pentachloro-1-propene (1600-37-9) → trichloro-acrylaldehyde (3787-28-8)

Guidance literature:

With sulfuric acid;

Reference yield:

1,1,2-trichloro-3,3-diethoxy-propene (53356-86-8) → trichloro-acrylaldehyde (3787-28-8)

Guidance literature:

With formic acid; at 100 ℃;

upstream raw materials:

1,1,2,3,3-pentachloro-1-propene

3-butoxy-1,1,3-trichloro-propene

1,1,2-trichloro-3,3-diethoxy-propene

1,1,2,4,4-pentachloro-1,3-butadiene

Downstream raw materials:

potassium formate

Trichloroethylene

2,3,3-trichloropropenal tosylhydrazone

(S)-2-Amino-4-[(R)-1-(carboxymethyl-carbamoyl)-2-((E)-1,2-dichloro-3-oxo-propenylsulfanyl)-ethylcarbamoyl]-butyric acid

Refernces

• 1、 Zapol'skii, Viktor A.,Nutz, Eva,Namyslo, Jan C.,Adam, Arnold E. W.,Kaufmann, Dieter E.. "Chemistry of polyhalogenated nitrobutadienes, 2: Synthesis of N-tetrachloroallylidene-N′-arylhydrazines by a formal synproportionation reaction". . p. 2927 - 2933. Retrieved 2008/02/05.