1,1,2-Trichloroethane

Base Information

• Chemical Name: 1,1,2-Trichloroethane
• CAS No.: 79-00-5
• Molecular Formula: C2H3Cl3
• Molecular Weight: 133.405
• European Community (EC) Number: 201-166-9
• ICSC Number: 0080
• NSC Number: 405074
• UN Number: 2810,2831
• UNII: 28E9ERN9WU
• DSSTox Substance ID: DTXSID5021380
• Nikkaji Number: J1.962C
• Wikipedia: 1,1,2-Trichloroethane
• Wikidata: Q161280
• Metabolomics Workbench ID: 55256
• ChEMBL ID: CHEMBL43882
• Mol file: 79-00-5.mol

Synonyms:1,1,2-trichloroethane;1,1,2-trichloroethane, 14C-2-labeled;1,1,2-trichloroethane, 36Cl-labeled

Chemical Property of 1,1,2-Trichloroethane

Chemical Property:

• Appearance/Colour: colourless liquid with a mild chloroform odour
• Melting Point: -37 °C
• Boiling Point: 112.005 °C at 760 mmHg
• Flash Point: 31.026 °C
• PSA: 0.00000
• Density: 1.388 g/cm³
• LogP: 2.02890
• Water Solubility.: 4 g/L (20℃)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 131.930033
• Heavy Atom Count: 5
• Complexity: 18.9

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T,F
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:; R40:; R66:
• Safety Statements: S36/37:; S46:; S9:

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
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. The substance may cause effects on the central nervous system. This may result in lowering of consciousness. The substance may cause effects on the kidneys and liver. This may result in impaired functions. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. Repeated or prolonged contact with skin may cause dryness and cracking.

Technology Process of 1,1,2-Trichloroethane

There total 56 articles about 1,1,2-Trichloroethane 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: 4.8%

1,1-dichloroethane (75-34-3) → 1,1,1-trichloroethane (71-55-6,74552-83-3) + 1,1,2-trichloroethane (79-00-5)

Guidance literature:

With chlorine; at 25 ℃; for 0.05h; Irradiation;

DOI:10.1246/cl.1991.2101

Reference yield:

chloroethylene (75-01-4,9002-86-2) → hydrogenchloride (7647-01-0,15364-23-5) + tetrachloromethane (56-23-5) + dichloromethane (75-09-2) + chloroform (67-66-3,8013-54-5) + 1,1,2-trichloroethane (79-00-5)

Guidance literature:

With 1percent ruthenium supported on cobalt oxide catalyst; Reagent/catalyst;

DOI:10.1039/c6ra18503g

Reference yield:

dichloromethane (75-09-2) + acetylene (74-86-2,25067-58-7) → 1,2-Dichloroethylene (540-59-0,43695-79-0) + chloroethylene (75-01-4,9002-86-2) + 1,1,2-trichloroethane (79-00-5)

Guidance literature:

With lithium; copper dichloride; at 200 ℃; for 10h; Reagent/catalyst; Temperature; Gas phase;

upstream raw materials:

trans-crotonic anhydride

2-chloro-2-propenal

1,1-dichloroethane

1,2-Dichloroethylene

Downstream raw materials:

1,1,2,3,4-pentachloro-butane

1,1,1,4,4-pentachloro-but-2-ene

1,1,2-tris-(phenylmercapto)ethane

1,2-bis(phenylsulfonyl)ethane

Refernces

• 1、 Zhang, Ben-Li. "Application of Natural Abundance 2H NMR. Simultaneous Measurement of Primary and Secondary Kinetic Deuterium Isotope Effects". . p. 955 - 959. Retrieved 1988.
• 2、 -. "PROCESS FOR PRODUCING 1,1,2-TRICHLOROETHANE". Paragraph 0049-0054. . Retrieved 2020/12/19.
• 3、 Tian, Mingjiao,Jian, Yanfei,Ma, Mudi,He, Chi,Chen, Changwei,Liu, Chao,Shi, Jian-Wen. "Rational design of CrOx/LaSrMnCoO6 composite catalysts with superior chlorine tolerance and stability for 1,2-dichloroethane deep destruction". . p. 62 - 72. Retrieved 2018/11/24.