1,1,1,2,4,4,4-Heptafluorobutane

Base Information

• Chemical Name: 1,1,1,2,4,4,4-Heptafluorobutane
• CAS No.: 86884-16-4
• Molecular Formula: C4H3F7
• Molecular Weight: 184.05500
• Hs Code.: 2903399090
• European Community (EC) Number: 671-656-9
• DSSTox Substance ID: DTXSID70380841
• Mol file: 86884-16-4.mol

Synonyms:1,1,1,2,4,4,4-heptafluorobutane;86884-16-4;1H,2H,2H-Perfluorobutane;SCHEMBL727739;C4H3F7;DTXSID70380841;KPIWBTHJFIZHLS-UHFFFAOYSA-N;MFCD03094219;AKOS006230602;FT-0690750

Chemical Property of 1,1,1,2,4,4,4-Heptafluorobutane

Chemical Property:

• Vapor Pressure: 703mmHg at 25°C
• Boiling Point: 27.5oC
• PSA: 0.00000
• Density: 1.382g/cm3
• LogP: 2.83920
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 184.01229723
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,1,2,4,4,4-Heptafluorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,2,4,4,4-Heptafluorobutane

There total 6 articles about 1,1,1,2,4,4,4-Heptafluorobutane 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: 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

Reference yield:

1,1,1,2,4,4,4-heptafluoro-2-butene (760-42-9) → 1,1,1,2,4,4,4-heptafluorobutane (86884-16-4)

Guidance literature:

With hydrogen; 5% Pd(II)/C(eggshell); In ethanol; at 90 ℃; under 26618.1 Torr; Cooling with dry ice;

Reference yield:

tetrafluorobutene → 1,1,1,4,4,4-hexafluoro-2(Z)-butene (692-49-9) + trans-1,1,1,4,4,4-hexafluoro-2-butene (66711-86-2) + 1,1,1,2,4,4,4-heptafluorobutane (86884-16-4)

Guidance literature:

With hydrogen fluoride; at 26.84 ℃; for 10h; under 750.075 Torr;

upstream raw materials:

rac-4,4,4-trifluoro-3-hydroxybutanoic acid

1,1,1,4,4,4-hexafluoro-2-butanol

n-butane

malic acid

Refernces

• 1、 -. "PREPARATION OF HYDROFLUOROOLEFINS BY DEHYDROFLUORINATION". Page/Page column 5. . Retrieved 2010/07/10.
• 2、 Motnyak, L. A.,Burmakov, A. I.,Kunshenko, B. V.,Neizvestnaya, T. A.,Alekseeva, L. A.,Yagupol'skii, L. M.. "REACTION OF HYDROXY AND CARBONYL COMPOUNDS WITH SULFUR TETRAFLUORIDE. X. REACTION OF ALIPHATIC β-HYDROXYCARBOXYLIC ACIDS WITH SULFUR TETRAFLUORIDE". . p. 634 - 640. Retrieved 2007/10/02.