3,3,3-Trifluoro-2-(trifluoromethyl)propene

Base Information

• Chemical Name: 3,3,3-Trifluoro-2-(trifluoromethyl)propene
• CAS No.: 382-10-5
• Molecular Formula: C4H2F6
• Molecular Weight: 164.05
• Hs Code.: 2903399090
• European Community (EC) Number: 206-840-6
• UNII: P9GQF23ZL8
• DSSTox Substance ID: DTXSID9052056
• Nikkaji Number: J28.271E
• Wikipedia: Hexafluoroisobutylene
• Wikidata: Q56291655
• Mol file: 382-10-5.mol

Synonyms:1,1-bis(trifluoromethyl)ethene;3,3,3,4,4,4-hexafluoroisobutylene;3,3,3,4,4,4-HFIB;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene;hexafluoroisobutylene

Chemical Property of 3,3,3-Trifluoro-2-(trifluoromethyl)propene

Chemical Property:

• Vapor Pressure: 1490mmHg at 25°C
• Melting Point: -111°C
• Refractive Index: 1.274
• Boiling Point: 5.7 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.342 g/cm³
• LogP: 2.66720
• Water Solubility.: 272mg/L at 20℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 164.00606904
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99.9% ^*data from raw suppliers

Hexafluoroisobutene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 23
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(F)(F)F)C(F)(F)F

Technology Process of 3,3,3-Trifluoro-2-(trifluoromethyl)propene

There total 35 articles about 3,3,3-Trifluoro-2-(trifluoromethyl)propene 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: 83.0%

2-cyano-6,6-dimethyl-4,4,8,8-tetrakis(trifluoromethyl)-1,5-diazabicyclo<3.3.0>octane (62118-94-9) → 2-trifluoromethyl-3,3,3-trifluoropropene (382-10-5)

Guidance literature:

at 200 ℃; for 20h;

DOI:10.1016/0022-1139(93)02912-X

Reference yield: 80.0%

3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (81503-71-1) → 2-trifluoromethyl-3,3,3-trifluoropropene (382-10-5)

Guidance literature:

With potassium hydroxide; In various solvent(s); at 20 ℃; for 0.0833333h;

DOI:10.1016/S0022-1139(00)83173-5

Reference yield: 76.0%

chloromethyl hexafluoroisobutyrate (109023-50-9) → 2-trifluoromethyl-3,3,3-trifluoropropene (382-10-5)

Guidance literature:

With tributyl-amine;

upstream raw materials:

1,1,1,3,3,3-hexafluoro-2-(monofluoromethyl)propane

3-chloro-3,3-difluoro-2-trifluoromethyl-propene

4,4-bis-trifluoromethyl-oxetan-2-one

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

Downstream raw materials:

1,1,1,3,3,3-hexafluoro-2-methyl-propane

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane

3,3,3-Trifluoro-1-phenyl-2-(trifluoromethyl)-1-propene

2,2-bis(trifluoromethyl)oxirane

Refernces

• 1、 Bell, David,Tipping, Anthony E.. "Unsaturated nitrogen compounds containing fluorine. Part 12. Reaction of 2--1,1,1,3,3,3-hexafluoropropan-2-ide with monosubstituted ethenes, chlorine and hydrogen chloride". . p. 243 - 248. Retrieved 1994.
• 2、 -. "Method for synthesizing fluoroisobutylene by taking hexafluoropropylene as initial raw material". Paragraph 0084. . Retrieved 2021/05/15.
• 3、 -. "Preparation method of hexafluoroisobutene". Paragraph 0039; 0056-0060. . Retrieved 2017/09/21.