1,1,1,2,3,4,4,4-Octafluorobutane

Base Information

• Chemical Name: 1,1,1,2,3,4,4,4-Octafluorobutane
• CAS No.: 75995-72-1
• Molecular Formula: C4H2 F8
• Molecular Weight: 202.047
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID60379668
• Mol file: 75995-72-1.mol

Synonyms:1,1,1,2,3,4,4,4-octafluorobutane;75995-72-1;Butane,1,1,1,2,3,4,4,4-octafluoro-;2h,3h-perfluorobutane;2H,3H-Octafluorobutane;SCHEMBL726552;DTXSID60379668;CFSHSCBNZAKMAT-UHFFFAOYSA-N;MFCD03092909;AKOS015852726;Butane, 1,1,1,2,3,4,4,4-octafluoro-;FT-0612475;1,1,1,2,3,4,4,4-octakis(fluoranyl)butane;A838579

Chemical Property of 1,1,1,2,3,4,4,4-Octafluorobutane

Chemical Property:

• Vapor Pressure: 716mmHg at 25°C
• Refractive Index: 1.247
• Boiling Point: 33-34°C
• PSA: 0.00000
• Density: 1.453g/cm³
• LogP: 2.78720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 202.00287536
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,1,2,3,4,4,4-Octafluorobutane 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,2,3,4,4,4-Octafluorobutane

There total 4 articles about 1,1,1,2,3,4,4,4-Octafluorobutane 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: 69.0%

(E)-1,2-difluoroethene (1630-78-0) + Hexafluoroacetone (684-16-2) → Hexafluoroethane (76-16-4) + 1,1,1,2,3,4,4,4-octafluorobutane (75995-72-1) + cis-2,2-bis(trifluoromethyl)-3,4-difluorooxetane (74960-13-7,74960-20-6) + trans-2,2-bis(trifluoromethyl)-3,4-difluorooxetane (74960-13-7,74960-20-6)

Guidance literature:

for 144h; Irradiation;

Reference yield: 37.0%

(Z)-1,2-difluoro-ethene (1630-77-9) + Hexafluoroacetone (684-16-2) → Hexafluoroethane (76-16-4) + 1,1,1,2,3,4,4,4-octafluorobutane (75995-72-1) + cis-2,2-bis(trifluoromethyl)-3,4-difluorooxetane (74960-13-7,74960-20-6) + trans-2,2-bis(trifluoromethyl)-3,4-difluorooxetane (74960-13-7,74960-20-6)

Guidance literature:

for 144h; Irradiation;

Reference yield: 5.2%

n-butane (106-97-8,9003-29-6,9021-92-5) → 1,1,1,2,2,3,3,4-octafluorobutane (662-35-1) + 1,1,1,2,4,4,4-heptafluorobutane (86884-16-4) + 1,1,1,2,3,4,4,4-octafluorobutane (75995-72-1) + 1H,2H-perfluorobutane (119450-58-7)

Guidance literature:

With cobalt (III) fluoride; at 140 - 230 ℃; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(00)83070-5

upstream raw materials:

(Z)-1,2-difluoro-ethene

Hexafluoroacetone

(E)-1,2-difluoroethene

n-butane

Refernces

• 1、 Barlow, Michael G.,Coles, Barrie,Haszeldine, Robert N.. "Heterocyclic Polyfluoro-compounds. Part 31. Photochemical Oxetan Formation from Fluoroketones and Perfluoroaldehydes and 1,2-Difluoroethylene". . p. 2258 - 2267. Retrieved 2007/10/02.