1,1,1,3,3-Pentafluorobutane

Base Information

• Chemical Name: 1,1,1,3,3-Pentafluorobutane
• CAS No.: 406-58-6
• Deprecated CAS: 144377-42-4
• Molecular Formula: C4H5F5
• Molecular Weight: 148.076
• Hs Code.: 2903392932
• European Community (EC) Number: 430-250-1,609-856-5
• DSSTox Substance ID: DTXSID5073901
• Nikkaji Number: J712.354J
• Wikidata: Q2249494
• Mol file: 406-58-6.mol

Synonyms:1,1,1,2,2-Pentafluorobutane;1,1,1,2,3-pentafluorobutane;1,1,1,2,4-pentafluorobutane;1,1,1,3,3-pentafluorobutane;1,1,1,4,4-pentafluorobutane;1,1,2,3-tetrafluoro-2-(fluoromethyl)propane;1,1,2,3-Tetrafluoro-2-fluoromethylpropane;1,1,2,4,4-pentafluorobutane;1,1,3,3,4-pentafluorobutane;1,2,2,3,3-Pentafluorobutane;1,2,2,3,4-pentafluorobutane;butane 1,1,1,2,4-pentafluoro-;butane, 1,1,1,2,2-pentafluoro-;butane, 1,1,1,2,3-pentafluoro-;butane, 1,1,1,3,3-pentafluoro-;butane, 1,1,1,4,4-pentafluoro-;butane, 1,1,2,3,4-pentafluoro-;butane, 1,1,2,4,4-pentafluoro-;butane, 1,1,3,3,4-pentafluoro-;butane, 1,2,2,3,3-pentafluoro-;butane, 1,2,2,3,4-pentafluoro-;pentafluorobutane

Chemical Property of 1,1,1,3,3-Pentafluorobutane

Chemical Property:

• Vapor Pressure: 582mmHg at 25°C
• Melting Point: -34.15°C
• Refractive Index: 1.279
• Boiling Point: 32.5 °C at 760 mmHg
• Flash Point: 27°C
• PSA: 0.00000
• Density: 1.27
• LogP: 2.59400
• Water Solubility.: Soluble in water (1.7g/L at 21.2C). Miscible with most organic solvents.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 148.03114097
• Heavy Atom Count: 9
• Complexity: 91.6

Purity/Quality:

99.9% ^*data from raw suppliers

1,1,1,3,3-Pentafluorobutane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(F)(F)F)(F)F
• Uses: Used as foam blowing agent in the production of closed cell rigid insulating foams. It is also used as degreasing solvent in semi-closed and closed degreasing systems. It finds also its use as heat exchange fluid in closed heat transfer systems.

Technology Process of 1,1,1,3,3-Pentafluorobutane

There total 9 articles about 1,1,1,3,3-Pentafluorobutane 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: 90.0%

1,3-difluoro-1,1,3-trichlorobutane + 1,3-dichloro-1,3-difluorobut-1-ene → 1,1,1,3,3-pentafluorobutane (406-58-6)

Guidance literature:

With SbCl₅; HF; In water;

Reference yield: 70.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) → 1,1,1,3,3-pentafluorobutane (406-58-6)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 20 ℃; for 12h; stainless-steel autoclave;

Reference yield:

3-chloro-1,1,1,3-tetrafluorobutane (1227947-54-7) → 1,1,1,3,3-pentafluorobutane (406-58-6) + 3-chloro-1,1,1-trifluorobut-3-ene (1227064-96-1) + 1,1,1,3-tetrafluorobut-3-ene (721946-02-7)

Guidance literature:

With strontium fluoride; at 200 ℃; for 7.77778E-05h; Inert atmosphere;

DOI:10.1016/j.jcat.2011.06.013

upstream raw materials:

3,3-dichloro-1,1,1-trifluoro-butane

1,1,1-trichloro-3,3-difluoro-butane

4-methyleneoxetan-2-one

1,1,1-trichloro-3-methyl-3-chloro-3-bromopropane

Downstream raw materials:

1,1,1-trichloro-2,2,4,4,4-pentafluoro-butane

Carbonyl fluoride

carbon dioxide

Bis(trifluoromethyl)trioxide

Refernces

• 1、 -. "HYDROFLUOROCARBON REFRIGERANT COMPOSITIONS AND USES THEREOF". . . Retrieved 2008/06/13.
• 2、 Bloshchitsa, F. A.,Burmakov, A. I.,Yagupol'skii, L. M.. "REACTION OF DIKETENE WITH SULFUR TETRAFLUORIDE IN ANHYDROUS HYDROGEN FLUORIDE". . p. 1404. Retrieved 2007/10/02.