Dichloroacetaldehyde

Base Information

• Chemical Name: Dichloroacetaldehyde
• CAS No.: 79-02-7
• Molecular Formula: C2H2 Cl2 O
• Molecular Weight: 112.943
• European Community (EC) Number: 201-169-5
• NSC Number: 5207
• UN Number: 1993
• UNII: 9GT3DHH725
• DSSTox Substance ID: DTXSID3021560
• Nikkaji Number: J35.925D
• Wikidata: Q16661162
• Mol file: 79-02-7.mol

Synonyms:dichloroacetaldehyde

Chemical Property of Dichloroacetaldehyde

Chemical Property:

• Vapor Pressure: 56mmHg at 25°C
• Melting Point: -50.15°C
• Refractive Index: 1.4530 (estimate)
• Boiling Point: 90.5°C at 760 mmHg
• Flash Point: 16.4°C
• PSA: 17.07000
• Density: 1.377g/cm³
• LogP: 0.98900
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 111.9482701
• Heavy Atom Count: 5
• Complexity: 34.6
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: C(=O)C(Cl)Cl

Technology Process of Dichloroacetaldehyde

There total 71 articles about Dichloroacetaldehyde 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: 90.0%

2,4,6-tris-dichloromethyl-[1,3,5]trioxane (17352-16-8) → 2,2-dichloroacetaldehyde (79-02-7)

Guidance literature:

With sulfuric acid; at 160 ℃;

DOI:10.1080/00397919308011215

Reference yield: 69.0%

sodium methylate (124-41-4) + benzoyl(dichloro)acetaldehyde (160663-32-1) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 2,2-dichloroacetaldehyde (79-02-7) + phenylglyoxal dimethylacetal (19159-39-8)

Guidance literature:

With methanol; for 16h;

Reference yield: 62.0%

dichloroacetaldehyde diethyl acetal (619-33-0) → 2,2-dichloroacetaldehyde (79-02-7)

Guidance literature:

With sulfuric acid; benzoic acid anhydride; at 210 ℃;

upstream raw materials:

formaldehyd

chloroform

chloral hydrate

dichloroacetaldehyde diethyl acetal

Downstream raw materials:

2,2-dichloro-1-(2-chlorophenyl)ethanol

N-(2,2-dichloro-1-hydroxy-ethyl)-benzamide

2-dichloromethyl-[1,3]dioxolane

1,1-dichloro-2,2-bis(p-methoxyphenyl)ethane

Refernces

• 1、 Allakhverdieva, G. E.,Ismailov, V. M.,Mamedov, I. A.,Sadykhova, N. D.,Yusubov, N. N.. "Some Transformations of Mono-and Dichloro(diethoxyphosphoryl)acetaldehydes". . p. 89 - 92. Retrieved 2020/04/09.
• 2、 Hongliang, Cai,Fishbein, James C.. "α-(Acyloxy)dialkylnitrosamines: Effects of structure on the formation of N-nitrosiminium ions and a predicted change in mechanism". . p. 1826 - 1833. Retrieved 2007/10/03.