80793-17-5

Basic information

• Product Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane
• Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane;1H,1H,1H,2H,2H-Perfluorooctane 97%;1,1,1,2,2-Pentahydroperfluorooctane;AC 6000;HFC 76-13;HFC 76-13sf;Perfluorohexylethane;1H,1H,1H,2H,2H-Perfluorooctane97%
• CAS NO: 80793-17-5
• Molecular Formula: C₈H₅F₁₃
• Molecular Weight: 694.1932032
• Mol File: 80793-17-5.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 121.2°C at 760 mmHg
• Flash Point: 34.4°C
• Appearance: /
• Density: 1.502g/cm³
• Vapor Pressure: 17.7mmHg at 25°C
• Refractive Index: 1.282
• CAS DataBase Reference: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane(80793-17-5)
• EPA Substance Registry System: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane(80793-17-5)

Safety Data

• Hazardous Substances Data: 80793-17-5(Hazardous Substances Data)

Usage

General Description

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, also known as (Perfluorohex-1-yl)ethane, is a fluorocarbon compound with multiple fluorine atoms attached to a carbon backbone. It is used as a refrigerant, solvent, and propellant due to its low toxicity and high chemical stability. 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane, (Perfluorohex-1-yl)ethane is also used in the production of fire extinguishing systems, heat transfer fluids, and electronic cleaning agents. It is non-flammable and non-reactive, making it a valuable chemical in various industrial and commercial applications. Furthermore, its unique properties also make it useful in the manufacturing of coatings and lubricants for various applications.

InChI:InChI=1/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H2,1H3

Upstream product

• 100-42-5 styrene 
• 868-81-5 chlorodimethoxyborane 
• 161583-34-2 1-bromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane 
• 25291-17-2 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene 
• 76598-01-1 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl magnesium iodide 
• 2043-57-4 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane 

Relevant articles and documents

Polyfluoroorganotrifluoroborates and -difluoroboranes: Interesting materials in fluoroorgano and fluoroorgano-element chemistry

The aimed introduction of the polyfluoroorgano groups (4-C 5F4N), C6F13C2H 4, and C2F5 into methoxy group-containing boron electrophiles is reported. The new compounds obtained after transformations K[(4-C5F4N)BF3], (4-C5F 4N)BF2, K[C6F13C2H 4BF3], C6F13C2H 4BF2, K[(C2F5)2B(OMe) 2], and K[(C2F5)2BF2] were isolated and characterised. Additionally some of their precursors as there are Li(4-C5F4N), Li[(4-C5F4N)B(OMe) 3], (4-C5F4N)B(OH)2 and the by-products Li[(4-C5F4N)2B(OMe)2], (4-C5F4N)2BOH, and K[(4-C5F 4N)2BF2] are described. The usefulness of polyfluoroorganodifluoroboranes for introducing polyfluoroorgano groups into hypervalent FEF bonds is demonstrated by the synthesis of [C6F 5(4-C5F4N)I][BF4] and [p-FC 6H4(trans-CF3CFCF)I][BF4].

Parahydrogen-induced polarization transfer to 19F in perfluorocarbons for 19F NMR spectroscopy and MRI

Fluorinated substances are important in chemistry, industry, and the life sciences. In a new approach, parahydrogen-induced polarization (PHIP) is applied to enhance 19F MR signals of (perfluoro-n-hexyl)ethene and (perfluoro-n-hexyl)ethane. Unexpectedly, the end-standing CF3 group exhibits the highest amount of polarization despite the negligible coupling to the added protons. To clarify this non-intuitive distribution of polarization, signal enhancements in deuterated chloroform and acetone were compared and 19F-19F NOESY spectra, as well as 19F T 1 values were measured by NMR spectroscopy. By using the well separated and enhanced signal of the CF3 group, first 19F MR images of hyperpolarized linear semifluorinated alkenes were recorded. Copyright

Experimental and theoretical studies on the reactivities of partially and fully fluorinated primary alkyl radicals

Absolute rate constants for hydrogen abstraction from n-Bu3SnH by a number of partially-fluorinated and fully fluorinated n-alkyl radicals have been measured. The C-H and C-C bond dissociation energies for a number of pertinent hydrofluorocarbons have been calculated by DFT. The rate data are compared with those for addition of the same radicals to styrene, and the reactivities of these radicals are discussed in terms of their electronegativies, their structure and the thermodynamics of their reactions.