1,1,1-Trifluoroethane

Base Information

• Chemical Name: 1,1,1-Trifluoroethane
• CAS No.: 420-46-2
• Molecular Formula: C2H3F3
• Molecular Weight: 84.041
• Hs Code.: 2903399090
• European Community (EC) Number: 206-996-5,248-764-6
• UN Number: 2035
• UNII: 84581C5PRN
• DSSTox Substance ID: DTXSID9042047
• Nikkaji Number: J398K
• Wikipedia: 1,1,1-Trifluoroethane
• Wikidata: Q161267,Q83057450
• Mol file: 420-46-2.mol

Synonyms:1,1,1-trifluoroethane;HFC-143a

Chemical Property of 1,1,1-Trifluoroethane

Chemical Property:

• Appearance/Colour: colourless gas
• Melting Point: -111 °C
• Boiling Point: -47 °C
• PSA: 0.00000
• Density: 1.078 g/cm³
• LogP: 1.56860
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.01868458
• Heavy Atom Count: 5
• Complexity: 26.4
• Transport DOT Label: Flammable Gas

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: R11:Highly flammable.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S33:Take precautionary measures against static discharges.

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: CC(F)(F)F

Technology Process of 1,1,1-Trifluoroethane

There total 103 articles about 1,1,1-Trifluoroethane 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: 100.0%

1-Chloro-1,1-difluoroethane (75-68-3) → 2,2,2-trifluoroethanol (420-46-2)

Guidance literature:

at 200 ℃; for 2h; Conversion of starting material;

Reference yield: 98.0%

2-oxo-propionic acid (127-17-3) → 2,2,2-trifluoroethanol (420-46-2)

Guidance literature:

With sulfur tetrafluoride; at 20 ℃; for 12h; steel autoclave;

Reference yield: 84.3%

1,1-dichlorotetrafluoroethane (374-07-2) → 2,2,2-trifluoroethanol (420-46-2) + 1,1,1,2-tetrafluoroethane (811-97-2) + 1,1,1,2-tetrafluoro-2-chloroethane (2837-89-0)

Guidance literature:

With hydrogen; palladium/alumina; at 140 ℃; Product distribution; Mechanism; var. temp.; other catalysts;

DOI:10.1006/jcat.1996.0394

upstream raw materials:

1,1-difluoroethane

1-Chloro-1,1-difluoroethane

1,1,1-trichloroethane

1,1,1-trifluoro-2-chloroethane

Downstream raw materials:

2,2,2-trifluoroethanol

2,2,2-Trifluoroacetaldehyde

2,2,2-trifluoroethyl

C₂H₂F₃O₂

Refernces

• 1、 Morris, Robert A.. "Formation of CF3O- in the gas phase". . p. 8436 - 8442. Retrieved 1999.
• 2、 Berry,Pimentel. "". . p. 5190. Retrieved 1968.
• 3、 Marcoux,Setser. "". . p. 97. Retrieved 1978.
• 4、 Artault, Maxime,Martin-Mingot, Agnès,Thibaudeau, Sébastien,Vitse, Kassandra. "Direct Superacid-Promoted Difluoroethylation of Aromatics". supporting information. . Retrieved 2021/12/22.
• 5、 Kaupp, M.,Müller, R.,Pr?hm, P.,Riedel, S.,Schattenberg, C. J.,Schmid, J. R.,Sonnenberg, K.,Steinhauer, S.,Vo?nacker, P.. "Improved Access to Organo-Soluble Di- and Tetrafluoridochlorate(I)/(III) Salts". supporting information. p. 16002 - 16006. Retrieved 2020/07/20.