1H-Perfluorohexane

Base Information

• Chemical Name: 1H-Perfluorohexane
• CAS No.: 355-37-3
• Molecular Formula: C6H F13
• Molecular Weight: 320.053
• Hs Code.: 2903399090
• European Community (EC) Number: 206-581-9
• UNII: 837H3TP46U
• DSSTox Substance ID: DTXSID20188995
• Nikkaji Number: J95.349K
• Wikidata: Q72500539
• Mol file: 355-37-3.mol

Synonyms:1H-Perfluorohexane;355-37-3;1H-Tridecafluorohexane;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane;EINECS 206-581-9;Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane;837H3TP46U;Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-;C6HF13;tridecafluorohexane;1-hydrotridecafluorohexane;1H-Perfluorohexane, 97%;SCHEMBL37632;UNII-837H3TP46U;C6F13H;DTXSID20188995;HFC 52-13P;C6-H-F13;MFCD00142632;AKOS015907708;LS-186262;(4-CHLOROPHENOXY)ACETICACIDETHYLESTER;FT-0607909;T2496;D92604;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane #

Chemical Property of 1H-Perfluorohexane

Chemical Property:

• Appearance/Colour: Liquid
• Vapor Pressure: 117mmHg at 25°C
• Melting Point: -93℃
• Refractive Index: 1.3
• Boiling Point: 75.1 ºCat 760 mmHg
• Flash Point: 8.5 ºC
• PSA: 0.00000
• Density: 1.608 g/cm³
• LogP: 4.35500
• Water Solubility.: 1.5mg/L at 20℃
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 319.9870661
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

99.9% ^*data from raw suppliers

1H-Perfluorohexane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1H-Perfluorohexane

There total 56 articles about 1H-Perfluorohexane 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: 98.0%

C6H2F13O2P*C6H7N (1263360-99-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + anilinium dihydrogen phosphite (33921-12-9)

Guidance literature:

With phosphoric acid triphenyl ester; In dimethylsulfoxide-d6; diethylene glycol dimethyl ether; water; at 115 ℃; for 4h;

DOI:10.1021/ic102063e

Reference yield: 91.0%

n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3)

Guidance literature:

With ethanol; sodium ethanolate; at 70 - 76 ℃; for 6h; Reagent/catalyst; Inert atmosphere; Large scale;

Reference yield: 81.0%

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8) + methyl methacrylate (97-63-2,9003-42-3) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + Ethyl 2-methyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate (140834-68-0)

Guidance literature:

With [Co(HDm)2Py]Br; zinc; In ethanol; at 30 ℃; for 2h;

DOI:10.1021/jo00038a022

upstream raw materials:

n-perfluorohexyl iodide

sodium methylate

sodium thiomethoxide

Perfluorohexanecarboxylic acid nitrile

Downstream raw materials:

perfluoro-n-hexyl chloride

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

undecafluorohexanoic acid

ethyl 2-(perfluorohexyl)benzoate

Refernces

• 1、 Anselmi, Elsa,Blazejewski, Jean-Claude,Tordeux, Marc,Wakselman, Claude. "Perfluoroalkylation of aliphatic thiols in the presence of sodium hydroxymethanesulfinate". . p. 41 - 44. Retrieved 2000.
• 2、 Peng, Sheng,Moloy, Kenneth G.. "Perfluoroalkyl ethyl alcohols via perfluoroalkyl acetaldehydes". . p. 7 - 10. Retrieved 2017/08/04.
• 3、 Hosein, Adil I.,Le Goff, Xavier F.,Ricard, Louis,Caffyn, Andrew J. M.. "Reaction of perfluoroalkyl Grignard reagents with phosphorus trihalides: A new route to perfluoroalkyl-phosphonous and-phosphonic acids". . p. 1484 - 1490. Retrieved 2011/04/23.