Perflisobutane

Base Information

• Chemical Name: Perflisobutane
• CAS No.: 354-92-7
• Molecular Formula: C4F10
• Molecular Weight: 238.028
• Hs Code.: 2903399090
• European Community (EC) Number: 206-571-4
• UNII: 7W4TAI502Z
• DSSTox Substance ID: DTXSID50188882
• Nikkaji Number: J193.836C
• Wikidata: Q27268934
• NCI Thesaurus Code: C81069
• ChEMBL ID: CHEMBL2107769
• Mol file: 354-92-7.mol

Synonyms:PERFLISOBUTANE;354-92-7;Decafluoroisobutane;1,1,1,2,3,3,3-Heptafluoro-2-(trifluoromethyl)propane;Perfluoroisobutane;Perflisobutane [INN];UNII-7W4TAI502Z;7W4TAI502Z;Propane,1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)-;C4F10;EINECS 206-571-4;perfluorisobutan;perfluoro-isobutane;SCHEMBL397750;CHEMBL2107769;COQIQRBKEGPRSG-UHFFFAOYSA-;DTXSID50188882;MFCD00236738;AKOS025117170;1-METHYLINDOLE-3-ACETICACIDETHYLESTER;Q27268934;Propane, 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)-

Chemical Property of Perflisobutane

Chemical Property:

• Vapor Pressure: 1690mmHg at 25°C
• Melting Point: -128.2°C (estimate)
• Refractive Index: 1.2464 (estimate)
• Boiling Point: 2.1°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.595g/cm³
• LogP: 3.38160
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 237.98403162
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Perfluoroisobutane 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perflisobutane

There total 16 articles about Perflisobutane 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: 74.0%

neopentyl chloride (753-89-9) → perfluoroisobutylene (354-92-7) + 3,3,3-trifluoro-2,2-bis-trifluoromethyl-propionyl fluoride (1813-18-9) + 1-Chloro-F-2-methylpropane (10537-60-7) + perfluoroneopentyl chloride (87136-72-9)

Guidance literature:

With fluorine; for 3h; Yield given; Irradiation; aerosol;

DOI:10.1021/jo00173a035

Reference yield: 62.5%

2,2-dimethylpropyl bromide (630-17-1) → perfluoroisobutylene (354-92-7) + perfluoroisopentane (594-91-2)

Guidance literature:

With fluorine; for 2h; Product distribution; Irradiation; var. F/hydrocarbon mole ratio, without irradiation;

DOI:10.1021/jo00173a035

Reference yield: 43.0%

cyclohexane (110-82-7,25012-93-5) → perfluoroisobutylene (354-92-7) + perfluoroisohexane (355-04-4) + perfluoro(3-methylpentane) (865-71-4) + perfluoro(2,2-dimethylbutane) (112156-74-8)

Guidance literature:

cobalt (III) fluoride; at 360 ℃; for 3h; Further byproducts given;

DOI:10.1039/P29910000445

upstream raw materials:

2,2-dimethylpropane

2-methyl-2-butylchloride

2,2-Dimethylbutane

tert-butyl methyl ether

Downstream raw materials:

1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Refernces

• 1、 Burdon et al.. "". . p. 523,534. Retrieved 1977.
• 2、 Adcock et al.. "". . p. 197,198, 199, 202. Retrieved 1976.
• 3、 Burdon, James,Creasey, Jeremy C.,Proctor, Lee D.,Plevey, Raymond G.,Yeoman, J.R. Neil. "Skeletal Rearrangements during the Fluorination of C6-Hydrocarbons over Cobalt(III) Trifluoride". . p. 445 - 447. Retrieved 2007/10/02.
• 4、 Huang, Hsu-Nan,Persico, Daniel F.,Lagow, Richard J.,Clark, Leland C.. "Synthesis of Unusual Perfluorocarbon Ethers and Amines Containing Bulky Fluorocarbon Groups: New Biomedical Materials". . p. 78 - 85. Retrieved 2007/10/02.