2-(Trifluoromethyl)oxirane

Base Information

• Chemical Name: 2-(Trifluoromethyl)oxirane
• CAS No.: 359-41-1
• Molecular Formula: C3H3F3O
• Molecular Weight: 112.051
• Hs Code.: 29109000
• European Community (EC) Number: 609-196-8
• DSSTox Substance ID: DTXSID50957318
• Nikkaji Number: J404.118F
• Mol file: 359-41-1.mol

Synonyms:359-41-1;2-(Trifluoromethyl)oxirane;1,1,1-Trifluoro-2,3-epoxypropane;1,2-Epoxy-3,3,3-trifluoropropane;3,3,3-Trifluoro-1,2-epoxypropane;(trifluoromethyl)oxirane;Oxirane, (trifluoromethyl)-;MFCD00041506;C3H3F3O;3,3,3-Trifluoropropane epoxide;2-trifluoromethyl-oxirane;trifluoro-1,2-epoxypropane;1,1,1-trifluoroepoxypropane;2-(Trifluoromethyl)oxirane #;SCHEMBL151485;AMY6807;DTXSID50957318;3,3,3-Trifluoro-1,2-propenoxide;1,1,1-trifluoro-2.3-epoxypropane;1.1,1-trifluoro-2,3-epoxypropane;BBL100958;STL554752;1,1,1-tri-fluoro-2,3-epoxypropane;1,1,1-trifluoro-2,3-epoxy-propane;AKOS005255857;1,1,1 -tri-fluoro-2,3-epoxypropane;PB48019;MS-20110;racemic 1,1,1-trifluoro-2,3-epoxypropane;FT-0605322;FT-0605942;FT-0773548;EN300-69314;F12142;A806005;A823055;J-502401;F0001-1032

Chemical Property of 2-(Trifluoromethyl)oxirane

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 560mmHg at 25°C
• Melting Point: -80
• Refractive Index: 1.2997
• Boiling Point: 33.5 °C at 760 mmHg
• Flash Point: -40°C
• PSA: 12.53000
• Density: 1.448 g/cm³
• LogP: 0.94750
• Storage Temp.: Keep Cold
• Sensitive.: Moisture Sensitive
• Water Solubility.: Not miscible with water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 112.01359920
• Heavy Atom Count: 7
• Complexity: 76.7

Purity/Quality:

98% ^*data from raw suppliers

1,1,1-Trifluoro-2,3-Epoxypropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F,T
• Statements: 11-20/21/22-36/37/38
• Safety Statements: 16-26-36-36/37-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)C(F)(F)F
• Uses: 1,2-Epoxy-3,3,3-trifluoropropane is used for the synthesis of trifluorolactic acid. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Technology Process of 2-(Trifluoromethyl)oxirane

There total 10 articles about 2-(Trifluoromethyl)oxirane 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: 88.0%

3-bromo-1,1,1-trifluoropropan-2-ol (137429-44-8) → 1,1,1-trifluoro-2,3-epoxypropane (359-41-1)

Guidance literature:

With sodium hydroxide; at 100 ℃;

DOI:10.1016/0040-4020(96)00782-X

Reference yield: 80.3%

2-bromo-3,3,3-trifluoropropan-1-ol (311-86-4) → 1,1,1-trifluoro-2,3-epoxypropane (359-41-1)

Guidance literature:

With calcium hydroxide; In water; at 38 - 40 ℃; for 1h; Concentration; Reagent/catalyst;

Reference yield:

1,1,1-trifluoropropylene (677-21-4) → 1,1,1-trifluoro-2,3-epoxypropane (359-41-1) + 3,3,3-trifluoropropanal (460-40-2)

Guidance literature:

With dinitrogen monoxide; at 20 - 300 ℃; for 4h; under 750.075 Torr; Reagent/catalyst; Kinetics; Inert atmosphere;

DOI:10.1016/j.jcat.2014.01.015

upstream raw materials:

3-bromo-1,1,1-trifluoropropan-2-ol

1,1,1-trifluoropropylene

3-acetoxy-2-bromo-1,1,1-trifluoropropane

2-bromo-3,3,3-trifluoropropan-1-ol

Downstream raw materials:

1,1,1-trifluoro-2-butanol

1,1,1-trifluoroisopropanol

3-amino-1,1,1-trifluoropropan-2-ol

Diphenyl-(3,3,3-trifluoro-2-trimethylsilanyloxy-propyl)-phosphane

Refernces

• 1、 Sun, Chong-Xiang,Wang, Yu,Jia, Ai-Ping,Chen, Shu-Xia,Luo, Meng-Fei,Lu, Ji-Qing. "Gas-phase epoxidation of 3,3,3-trifluoropropylene over Au/CuTiO2 catalysts with N2O as the oxidant". . p. 139 - 151. Retrieved 2014.
• 2、 -. "METHODS". Page/Page column 14; 15. . Retrieved 2018/11/22.