1,1,1,2,2,3,3,4,4-Nonafluorohexane

Base Information

• Chemical Name: 1,1,1,2,2,3,3,4,4-Nonafluorohexane
• CAS No.: 38436-17-8
• Molecular Formula: C6H5 F9
• Molecular Weight: 248.091
• Hs Code.: 2903399090
• European Community (EC) Number: 691-605-4
• DSSTox Substance ID: DTXSID20459495
• Nikkaji Number: J753.978I
• Wikidata: Q72496546
• Mol file: 38436-17-8.mol

Synonyms:38436-17-8;1,1,1,2,2,3,3,4,4-nonafluorohexane;1H,1H,1H,2H,2H-Nonafluorohexane;1-(Perfluorobutyl)ethane;HFC-569mccf;1h,1h,1h,2h,2h-perfluorohexane;SCHEMBL64068;DTXSID20459495;RTGGFPLAKRCINA-UHFFFAOYSA-N;MFCD07784187;AKOS016015339;1,1,1,2,2,3,3,4,4-nonakis(fluoranyl)hexane;A824151

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

Chemical Property:

• Boiling Point: 72.4°Cat760mmHg
• Flash Point: 5.7°C
• PSA: 0.00000
• Density: 1.403g/cm³
• LogP: 3.86460
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 248.02475362
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

(Perfluoro-n-butyl)ethane 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1,1,1,2,2,3,3,4,4-Nonafluorohexane 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: 70.0%

3,3,4,4,5,5,6,6,6-nonafluorohexyliodide (2043-55-2,71215-70-8) → 1,1,1,2,2,3,3,4,4-nonafluorohexane (38436-17-8)

Guidance literature:

With hydrogenchloride; zinc; up to 70 deg C;

DOI:10.1016/0022-1139(93)02960-M

Reference yield:

ethene (74-85-1) + nonafluoro-1-bromobutane (375-48-4) → 1,1,1,2,2,3,3,4,4-nonafluorohexane (38436-17-8)

Guidance literature:

With di-tert-butyl peroxide;

DOI:10.1021/jo00948a040

Reference yield:

1,1,1,2,2,3,3,4,4-nonafluorohexane (38436-17-8) → hexane (110-54-3) + methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5)

Guidance literature:

With tri-n-hexylsilane; triphenylmethyl closo-6,7,8,9,10,11-hexachloropentahydroundecacarborate; at 50 ℃; for 120h;

DOI:10.1021/ja100605m

upstream raw materials:

ethene

nonafluoro-1-bromobutane

3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

Downstream raw materials:

hexane

methyl-cyclopentane

cyclohexane

Refernces