Hexadecafluoroheptane (mixture of isomers) - ≥85% , CAS No.335-57-9

CAS: 335-57-9 Cat. No.: H169667 Molecular Weight: 388.05 Beilstein Registry Number: 1716340 EC Number: 206-392-1

GRADE & PURITY ≥85%

Synonyms

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Hexadecafluoroheptane | I23ZVD1P1L | NSC79256 | MFCD00040339 | perfluoroheptanes | EINECS 206-392-1 | AI3-16935 | Perfluoro-n-heptane | FT-0626964 | Q5945644 | WLN: FXFFXFFXFFXFFXFFXFFXFFF | PERFLUOROHEPTANE | AS-76212 | He

Storage

Room temperature

Shipped In

Normal

Overview

Hexadecafluoroheptane is a common liquid perfluoro-n-alkane. It is reported as fluorinated solvent. Encapsulation of hexadecafluoroheptane (Perfluoroheptane) by a microencapsulation method based on a Pickering emulsion templated interfacial atom transfer radical polymerization (PETI-ATRP) has been reported. Aggregation of diblock semifluorinated in perfluoroheptane (fluorinated solvent) has been reported. Physical properties and commercial/industrial uses of hexadecafluoroheptane has been reported.

Specifications

Synonyms

1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7-Hexadecafluoroheptane | I23ZVD1P1L | NSC79256 | MFCD00040339 | perfluoroheptanes | EINECS 206-392-1 | AI3-16935 | Perfluoro-n-heptane | FT-0626964 | Q5945644 | WLN: FXFFXFFXFFXFFXFFXFFXFFF | PERFLUOROHEPTANE | AS-76212 | He

Specifications & Purity

≥85%

Storage

Room temperature

Shipped In

Normal

Purity

≥85%

Names and Identifiers

• Pubchem Sid: 488180991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180991
• Canonical Smiles: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane
• InChIKey: LGUZHRODIJCVOC-UHFFFAOYSA-N
• INCHI: 1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
• Isomeric SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• RTECS: MJ0875000
• Molecular Weight: 388.05
• Beilstein: 1716340
• Reaxy-Rn: 1716335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1716335&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

• Refractive Index: n20/D 1.3 (lit.)
• Boil Point(°C): 82-84 °C (lit.)
• Molecular Weight: 388.050 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 387.974 Da
• Monoisotopic Mass: 387.974 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 394.000
• 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