Perfluorooctane - ≥98% , CAS No.307-34-6

CAS: 307-34-6 Cat. No.: P122376 Molecular Weight: 438.06 EC Number: 206-199-2

GRADE & PURITY ≥98%

Synonyms

Octadecafluorooctane Fraction, >=97.0% (GC) | perfluoro-n-octane | Q-201545 | Eftop EF-L 100 | perfluoro octane | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecakis(fluoranyl)octane | AKOS015852789 | Perfluorooctanes | DTXSID0059794 | UNII-6P60ZBK0QL | Perfl

Storage

Room temperature

Shipped In

Normal

Overview

Perfluorooctane is a polyfluoroalkyl substance.Perfluorohexanoic acid (PFHxA), a 6-carbon perfluoroalkyl is an alternate of perfluorooctane.Phase behavior of semifluorinated n-alkanes in perfluorooctane has been studied.
Perfluorooctane may be used in chemical synthesis.

Specifications

Synonyms

Octadecafluorooctane Fraction, >=97.0% (GC) | perfluoro-n-octane | Q-201545 | Eftop EF-L 100 | perfluoro octane | 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8-octadecakis(fluoranyl)octane | AKOS015852789 | Perfluorooctanes | DTXSID0059794 | UNII-6P60ZBK0QL | Perfl

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180972
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180972
• Canonical Smiles: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
• InChIKey: YVBBRRALBYAZBM-UHFFFAOYSA-N
• INCHI: 1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
• Isomeric SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• RTECS: RG9701000
• Molecular Weight: 438.06
• Reaxy-Rn: 1717142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1717142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• External Descriptors: fluorocarbon

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water
• Refractive Index: 1.282
• Boil Point(°C): 99-100°C
• Melt Point(°C): -25°C
• Molecular Weight: 438.060 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 5
• Exact Mass: 437.971 Da
• Monoisotopic Mass: 437.971 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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