1,1,1-Trichloroethane

Base Information

• Chemical Name: 1,1,1-Trichloroethane
• CAS No.: 71-55-6
• Deprecated CAS: 74552-83-3
• Molecular Formula: C2H3Cl3
• Molecular Weight: 133.405
• Hs Code.: 2903191090
• European Community (EC) Number: 200-756-3
• ICSC Number: 0079
• NSC Number: 9367
• UN Number: 2831
• UNII: 113C650IR1
• DSSTox Substance ID: DTXSID0021381
• Nikkaji Number: J2.376K
• Wikipedia: 1,1,1-Trichloroethane
• Wikidata: Q161268
• NCI Thesaurus Code: C75637
• Metabolomics Workbench ID: 49536
• ChEMBL ID: CHEMBL16080
• Mol file: 71-55-6.mol

Synonyms:1,1,1-trichloroethane;Inhibisol;methylchloroform

Chemical Property of 1,1,1-Trichloroethane

Chemical Property:

• Appearance/Colour: colourless liquid with a mild ether-like odour
• Melting Point: -35 °C(lit.)
• Boiling Point: 74.1 °C at 760 mmHg
• Flash Point: 11°C
• PSA: 0.00000
• Density: 1.393 g/cm³
• LogP: 2.37650
• Water Solubility.: 1.4 g/L (20℃)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 131.930033
• Heavy Atom Count: 5
• Complexity: 26.4
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, N, T, F
• Hazard Codes: Xn:Harmful;;
• Statements: R19:; R20:; R40:; R59:; R66:
• Safety Statements: S16:; S24/25:; S46:; S59:; S61:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CC(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 mildly irritating to the eyes, respiratory tract and skin. The substance may cause effects on the central nervous system. This may result in lowering of consciousness. Exposure at high levels could cause cardiac dysrhythmia.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Use Description: 1,1,1-Trichloroethane, also known as methyl chloroform, has been used in various fields, although its usage has decreased due to environmental concerns and regulations. In the past, it was commonly employed as a solvent in the field of industrial cleaning, particularly for degreasing metal parts and machinery. Its role was pivotal in effectively removing oils, greases, and contaminants from industrial equipment. Additionally, it was used as an aerosol propellant in the production of aerosol sprays, contributing to the packaging and delivery of various consumer products like deodorants and insecticides. However, its usage in this context has significantly diminished due to its adverse environmental impact. Furthermore, it had applications in the laboratory as a solvent for chemical reactions and in the field of refrigeration as a refrigerant. Nevertheless, the use of 1,1,1-trichloroethane has been phased out or restricted in many regions due to its contribution to ozone layer depletion and other environmental concerns, leading to the development of more environmentally friendly alternatives in these fields.

Technology Process of 1,1,1-Trichloroethane

There total 38 articles about 1,1,1-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: 83.1%

1,1-dichloroethane (75-34-3) → 1,1,1-trichloroethane (71-55-6,74552-83-3) + 1,1,2-trichloroethane (79-00-5) + pentachloroethane (76-01-7)

Guidance literature:

With chlorine; at 200 ℃; for 0.05h; Mechanism; Irradiation; other temperature;

DOI:10.1246/cl.1991.2101

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:

Minuteman missile propellant → dichloromethane (75-09-2) + chloroform (67-66-3,8013-54-5) + 1,1,1-trichloroethane (71-55-6,74552-83-3) + trichlorofluoromethane (75-69-4)

Guidance literature:

With oxygen; at 1045.85 - 1146.85 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00228-9

upstream raw materials:

1,1-dichloroethane

1,1-Dichloroethylene

chloroform

diazirine

Downstream raw materials:

3-chloro-but-3-en-2-ol

sodium acetate

ethyl acetate

Triethyl orthoacetate

Refernces

• 1、 Deng, Wei,Gao, Biao,Guo, Limin,Jia, Ziye,Liu, Dongqi,Zhu, Simin. "Effect of preparation method on the performance of porous RuOx/Co3O4 catalysts for 1, 2-dichloroethane oxidation". . . Retrieved 2021/08/20.
• 2、 Hermann, Keith,Rieth, Stephen,Taha, Hashem A.,Wang, Bao-Yu,Hadad, Christopher M.,Badjic, Jovica D.. "On the mechanism of action of gated molecular baskets: The synchronicity of the revolving motion of gates and in/out trafficking of guests". body text. p. 90 - 99. Retrieved 2012/03/09.