Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-

Base Information

• Chemical Name: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-
• CAS No.: 678-26-2
• Deprecated CAS: 128664-89-1,96162-24-2
• Molecular Formula: C5F12
• Molecular Weight: 288.036
• Hs Code.: 2903493090
• European Community (EC) Number: 211-647-5
• UNII: 483AU1Y5CZ
• DSSTox Substance ID: DTXSID3046613
• Nikkaji Number: J95.348B
• Wikipedia: Perflenapent
• Wikidata: Q7168152
• NCI Thesaurus Code: C87703
• RXCUI: 2474632
• Metabolomics Workbench ID: 152753
• ChEMBL ID: CHEMBL1899801
• Mol file: 678-26-2.mol

Synonyms:Pentane,dodecafluoro- (6CI,7CI,8CI,9CI);Dodecafluoropentane;FC 87;Fluorinert FC 87;Fluorinert PF 5050;Flutec PP 50;PF 5050;PFC 41-12;Perflenapent;Perfluoro-n-pentane;Perfluoropentane;QW 7437;R 41(12);R-4112;

Chemical Property of Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-

Chemical Property:

• Vapor Pressure: 651mmHg at 25°C
• Melting Point: -120 °C
• Refractive Index: 1.2412
• Boiling Point: 29.3 °C at 760 mmHg
• Flash Point: 29°C
• PSA: 0.00000
• Density: 1.63 g/cm³
• LogP: 4.01690
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 287.9808379
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99%, ^*data from raw suppliers

Dodecafluoro-n-pentane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S9:Keep container in a well-ventilated place.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Recent ClinicalTrials: The Effects of NVX-108 as a Radiation Sensitizer in Glioblastoma
• Uses: Diagnostic aid. [Note—The trademark EchoGen Emulsion has been selected for the mixture of Perflenapent and Perflisopent in a ratio of 85:15, respectively. Perfluoro-n-pentane is used in method for producing bubble formulation for theranostics.

Technology Process of Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-

There total 60 articles about Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro- 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: 94.4%

1,1,1,2,2,3,3,4,5,5-decafluoro-pentane → perfluoropentane (678-26-2)

Guidance literature:

With cobalt (III) fluoride; fluorine; at 230 - 280 ℃; for 0.0833333h;

DOI:10.1023/A:1020344931406

Reference yield: 43.0%

2,2,3,4,4,4-hexafluoro-1-methyl butyl ethyl ether (94412-75-6) → perfluoropentane (678-26-2) + perfluoro-1-methyl butyl ethyl ether

Guidance literature:

With calcium fluoride; cobalt (III) fluoride; at 440 ℃; in nickel tube;

DOI:10.1016/S0022-1139(00)82331-3

Reference yield: 41.0%

bis-(2,2,3,4,4,4-hexafluoro-1-methylbutyl) ether (94412-76-7) → perfluoropentane (678-26-2) + perfluoro-di-(1-methyl-butyl)ether (92978-08-0)

Guidance literature:

With calcium fluoride; cobalt (III) fluoride; at 440 ℃; in nickel tube;

DOI:10.1016/S0022-1139(00)82331-3

upstream raw materials:

pyridine

2,4-lutidine

7-oxabicyclo(2.2.1)heptane

methyl 2-piperidylacetate

Downstream raw materials:

chlorotrifluoromethane

Dichlorodifluoromethane

Chloropentafluoroethane

freon-218

Refernces

• 1、 Moldavskii,Furin,Shkul'tetskaya,Eifman. "Fluorination of organic compounds with cobalt trifluoride and elemental fluorine in the presence of cobalt trifluoride". . p. 959 - 961. Retrieved 2002.
• 2、 Grigor'eva,Shainyan,Kaurova,Gracheva,Lesnevskaya,Barabanov. "Electrochemical fluorination of unsaturated sulfides and sulfones". . p. 1095 - 1100. Retrieved 2007/10/03.