Dichloroacetyl chloride

Base Information

• Chemical Name: Dichloroacetyl chloride
• CAS No.: 79-36-7
• Molecular Formula: C2HCl3O
• Molecular Weight: 147.388
• European Community (EC) Number: 201-199-9
• ICSC Number: 0869
• UN Number: 1765
• UNII: 52O60099FY
• DSSTox Substance ID: DTXSID6024965
• Nikkaji Number: J3.841E
• Wikipedia: Dichloroacetyl_chloride
• Wikidata: Q1209387
• ChEMBL ID: CHEMBL449486
• Mol file: 79-36-7.mol

Synonyms:2,2-dichloroacetyl chloride;dichloroacetyl chloride

Chemical Property of Dichloroacetyl chloride

Chemical Property:

• Appearance/Colour: colourless to light yellow fuming liquid
• Vapor Pressure: 27mmHg at 25°C
• Melting Point: < 25oC
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 107.5 °C at 760 mmHg
• Flash Point: 31.8 °C
• PSA: 17.07000
• Density: 1.581 g/cm³
• LogP: 1.55550
• Water Solubility.: MAY DECOMPOSE
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.909298
• Heavy Atom Count: 6
• Complexity: 59.8
• Transport DOT Label: Corrosive

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): C, N
• Hazard Codes: C:Corrosive;;
• Statements: R35:; R50:
• Safety Statements: S26:; S45:; S61:; S9:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(C(=O)Cl)(Cl)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: Lachrymation. The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema. Exposure could cause death.

Technology Process of Dichloroacetyl chloride

There total 67 articles about Dichloroacetyl chloride 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:

1,1,2,2-tetrachloroethylene (127-18-4) → phosgene (75-44-5) + dichloroacethyl chloride (79-36-7) + dichloromethyl radical (3474-12-2) + Trichloroethenol (3207-80-5) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2)

Guidance literature:

With hydroxide; In gas; at 27.9 ℃; under 0.4 - 4.2 Torr; Product distribution; Thermodynamic data; Rate constant; other temperatures; A, E;

DOI:10.1002/bbpc.19900940116

Reference yield:

1,1,2,2-tetrachloroethane (79-34-5) → dichloroacethyl chloride (79-36-7) + chloroform (67-66-3,8013-54-5) + pentachloroethane (76-01-7)

Guidance literature:

With oxygen; In neat (no solvent); at 30 ℃; for 6h; under 1050.08 Torr; Further byproducts given; Irradiation;

Reference yield:

Trichloroethylene (79-01-6) → phosgene (75-44-5) + dichloroacethyl chloride (79-36-7) + chloroform (67-66-3,8013-54-5) + pentachloroethane (76-01-7)

Guidance literature:

nitrogen-doped TiO₂; Further byproducts.; UV-irradiation;

DOI:10.1002/chem.200501020

upstream raw materials:

Ketene

phosgene

dichloro-acetic acid

Trichloroethylene

Downstream raw materials:

1,1,3-trichloroacetone

N-benzoyl-N-dichloroacetyl-aniline

2,2-dichloro-1-(4-phenylpiperazin-1-yl)ethan-1-one

1-(4-chloro-phenyl)-4-dichloroacetyl-piperazine

Refernces

• 1、 Sellers,Bissinger. "-". . p. 4486. Retrieved 1954.
• 2、 -. "Synthetic method of difluoroacetyl fluoride". Paragraph 0041; 0043-0044; 0058; 0060-0061; 0066; 0068-0069. . Retrieved 2020/12/10.
• 3、 -. "Synthesis method of chloroacetyl chloride". Paragraph 0023; 0025. . Retrieved 2019/03/28.