Tetradecafluorohexane - ≥95%, mixture of isomers , CAS No.355-42-0

CAS: 355-42-0 Cat. No.: T478344 Molecular Weight: 338.04 EC Number: 206-585-0 PubChem CID: 9639

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

CHEBI:39427 | AF0150 | AF-0150 | Tetradecafluorohexane, 99% | Fluorinert FC72Fluorinert FC72 | fluorinert(r) fc-72 | Flutec PP1 | Perflexane (USAN/INN) | Tox21_112328 | AFO150 | Perflexane [USAN:INN] | ZJIJAJXFLBMLCK-UHFFFAOYSA- | 1,1,1,2,2,3,3,4,4,5,5,6,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Tetradecafluorohexane in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium.Tetradecafluorohexane may be used as a fluorocarbon organic solvent in the preparation of temperature-induced phase-separation solution.

Specifications

Synonyms

CHEBI:39427 | AF0150 | AF-0150 | Tetradecafluorohexane, 99% | Fluorinert FC72Fluorinert FC72 | fluorinert(r) fc-72 | Flutec PP1 | Perflexane (USAN/INN) | Tox21_112328 | AFO150 | Perflexane [USAN:INN] | ZJIJAJXFLBMLCK-UHFFFAOYSA- | 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6,

Specifications & Purity

≥95%, mixture of isomers

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Contains perfluorocyclohexane

Purity

≥95%

Product Properties

• ALogP: 5.1

Names and Identifiers

• Pubchem Sid: 504751855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751855
• Canonical Smiles: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
• InChIKey: ZJIJAJXFLBMLCK-UHFFFAOYSA-N
• INCHI: 1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
• Isomeric SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• WGK Germany: 2
• RTECS: MO4310000
• PubChem CID: 9639
• Molecular Weight: 338.04

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: fluoroalkane - 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

• Sensitivity: Air sensitive
• Refractive Index: 1.252
• Boil Point(°C): 58-60 °C
• Melt Point(°C): -74°C
• Molecular Weight: 338.040 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 3
• Exact Mass: 337.978 Da
• Monoisotopic Mass: 337.978 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 319.000
• 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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