1,1,1,2-Tetrachloroethane

Base Information

• Chemical Name: 1,1,1,2-Tetrachloroethane
• CAS No.: 630-20-6
• Molecular Formula: C2H2Cl4
• Molecular Weight: 167.85
• European Community (EC) Number: 246-842-4,211-135-1
• ICSC Number: 1486
• UN Number: 1702
• UNII: 0S5MKE574X
• DSSTox Substance ID: DTXSID2021317
• Nikkaji Number: J3.311A
• Wikipedia: 1,1,1,2-Tetrachloroethane
• Wikidata: Q161264
• ChEMBL ID: CHEMBL155816
• Mol file: 630-20-6.mol

Synonyms:1,1,1,2-tetrachloroethane

Chemical Property of 1,1,1,2-Tetrachloroethane

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -70.2 °C
• Refractive Index: n20/D 1.481(lit.)
• Boiling Point: 132.4 °C at 760 mmHg
• Flash Point: 35.5 °C
• PSA: 0.00000
• Density: 1.566 g/cm³
• LogP: 2.59540
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 167.888111
• Heavy Atom Count: 6
• Complexity: 35.3
• Transport DOT Label: Poison

Purity/Quality:

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

Safty Information:

• Pictogram(s): Xn,T,F
• Hazard Codes: Xn:
• Statements: R22;R40;R41:
• Safety Statements: A skin and severe eye irritant. Questionable carcinogen with experimental carcinogenic data. Incompatible with dinitrogen tetrao

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: C(C(Cl)(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: The substance is irritating to the eyes and skin. The substance may cause effects on the central nervous system.

Technology Process of 1,1,1,2-Tetrachloroethane

There total 42 articles about 1,1,1,2-Tetrachloroethane 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: 89.9%

1,1,1-trichloroethane (71-55-6,74552-83-3) → 1,1,1,2-tetrachoroethane (630-20-6) + 1,1-Dichloroethylene (75-35-4,9002-85-1) + pentachloroethane (76-01-7)

Guidance literature:

With chlorine; at 25 ℃; Irradiation;

DOI:10.1246/cl.1991.2101

Reference yield: 61.3%

1,1,1-trichloroethane (71-55-6,74552-83-3) → 1,1,1,2-tetrachoroethane (630-20-6) + 1,1-Dichloroethylene (75-35-4,9002-85-1)

Guidance literature:

With chlorine; at 200 ℃; Mechanism; Irradiation; other temperature; other laser; other Cl₂ flow rate; other ratio educt/Cl₂;

DOI:10.1246/cl.1991.2101

Reference yield: 1.0%

2,2,2-Trichloroethyl chloroformate (17341-93-4) → 1,1,1,2-tetrachoroethane (630-20-6) + di-(2,2,2-trichloroethyl)-carbonate (5634-37-7)

Guidance literature:

With hexabutylguanidinium chloride; at 100 ℃; for 168h;

DOI:10.1016/S0040-4039(97)00626-6

upstream raw materials:

diethyl ether

hexachloroethane

ethylmagnesium bromide

chloroethane

Downstream raw materials:

2-(chrysene-6-carbonyl)-benzoic acid

N-(2,4-dichloro-[1]naphthyl)-toluene-4-sulfonamide

dichloro-phenyl-acetic acid amide

2-methyl-5-nitro-benzenesulfonic acid-(4-chloro-[1]naphthylamide)

Refernces

• 1、 Oshima, Yoshito,Iguchi, Kayoko,Tominaga, Hiro-o,Koda, Seiichiro. "A Novel Laser-induced Synthesis of 1,1-Dichloroethylene from 1,1-Dichloroethane". . p. 2101 - 2104. Retrieved 1991.
• 2、 Dmitriev,Trukshin,Smykalov. "A study of trichloroethylene hydrofluorination using a kinetic model". . p. 771 - 776. Retrieved 2007/10/03.
• 3、 Kohne, A.,Kemnitz, E.. "Heterogeneous catalyzed synthesis of 1,1,1,2-tetrafluoroethane from 1,1,1,2-tetrachloroethane - thermodynamics and reaction pathways". . p. 103 - 110. Retrieved 2007/10/03.