Perflubutane

Base Information

• Chemical Name: Perflubutane
• CAS No.: 355-25-9
• Deprecated CAS: 161107-53-5
• Molecular Formula: C4F10
• Molecular Weight: 238.028
• Hs Code.: 2903399090
• European Community (EC) Number: 206-580-3
• UNII: SE4TWR0K2C
• DSSTox Substance ID: DTXSID5059876
• Nikkaji Number: J2.580A
• Wikipedia: Perfluorobutane
• Wikidata: Q3375325
• NCI Thesaurus Code: C76636
• Metabolomics Workbench ID: 153734
• ChEMBL ID: CHEMBL2104979
• Mol file: 355-25-9.mol

Synonyms:AI 700;AI-700;AI700 compound;decafluorobutane;MP 1950;MP-1950;MP1950;perflubutane;perfluorobutane

Chemical Property of Perflubutane

Chemical Property:

• Appearance/Colour: colorless gas
• Vapor Pressure: 1940mmHg at 25°C
• Melting Point: -84.5 °C
• Refractive Index: 1.233
• Boiling Point: -2 °C
• Flash Point: 4.2 °C
• PSA: 0.00000
• Density: 1.595 g/cm³
• LogP: 3.38160
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 237.98403162
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

Decafluorobutane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 3-7

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(F)(F)F)(F)F
• Recent ClinicalTrials: Contrast Enhanced Ultrasonography to Detect Human Renal Transplant Rejection
• Recent EU Clinical Trials: Contrast enhanced ultrasound a novel technique in lymphatic imaging – A Prospective study
• Recent NIPH Clinical Trials: PEUSstudy
• Uses: Ultrasound contrast agent intended for assessing myocardial perfusion in patients with coronary artery disease.

Technology Process of Perflubutane

There total 86 articles about Perflubutane 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:

1,2-dichloro-1,2-difluoroethene (598-88-9) + octafluoro-2-butene (360-89-4,172368-67-1) → perfluorobutane (355-25-9) + perfluoro-1,2,3,4-tetrachlorobutane (375-45-1) + 1,2-dichloro-1,1,2,3,4,4,5,5,5-nonafluoro-3-trifluoromethyl-pentane (1998-80-7) + perfluoro-3,4-dimethylhexane (1735-48-4)

Guidance literature:

In trichlorofluoromethane; at -77 ℃; for 8.75h; Further byproducts given;

DOI:10.1021/ja01055a013

Reference yield:

perfluoro(tetramethylene)sulphur difluoride (42060-60-6) → perfluorobutane (355-25-9) + bis(nonafluorobutyl)disulfane (42060-69-5) + silicon tetrafluoride (7783-61-1) + thionyl fluoride (7783-42-8)

Guidance literature:

300°C, 5 h;

DOI:10.1016/S0022-1139(00)82857-2

Reference yield:

pentafluoro(1,1,2,2,2-pentafluoroethyl)-λ6-sulfane (354-67-6) → perfluorobutane (355-25-9) + sulfur tetrafluoride (7783-60-0)

Guidance literature:

at 500°C , other sulfurfluorides formed too;

DOI:10.1021/ja01558a017

upstream raw materials:

ethanedinitrile

Pentafluoroethyl iodide

pentafluoropropionic acid

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

Downstream raw materials:

trifluoromethylium

pentafluoroethylium

pefluoropropylene ion

C₂F₄⁽¹⁺⁾

Refernces

• 1、 Takagi, Toshiyuki,Tamura, Masanori,Shibakami, Motonari,Quan, Heng-Dao,Sekiya, Akira. "The synthesis of perfluoroamine using nitrogen trifluoride". . p. 15 - 17. Retrieved 2000.
• 2、 Scanlon, Michael D.,Hanrahan, Robert J.. "GAS PHASE RADIATION CHEMISTRY OF HEXAFLUOROETHANE". . p. 199 - 208. Retrieved 1980.
• 3、 Robson,P. et al.. "". . p. 5010 - 5015. Retrieved 1961.
• 4、 Voehringer, Cecilia M. de,Staricco, Eduardo H.. "Reaction of Pentafluoroethyl Radicals with Cyanogen Chloride". . p. 3493 - 3498. Retrieved 1982.
• 5、 Grinberg,V.A. et al.. "-". . . Retrieved 1979.
• 6、 -. "Preparation method for perfluoroalkane". Paragraph 0030; 0031. . Retrieved 2016/11/28.
• 7、 Bennua-Skalmowski, Baerbel,Klar, Ulrich,Vorbrueggen, Helmut. "Amine-induced decomposition of perfluoroalkanesulfonyl fluorides". . p. 1175 - 1178. Retrieved 2008/12/22.