1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane - ≥95%(GC) , CAS No.2043-54-1

CAS: 2043-54-1 Cat. No.: H168409 Molecular Weight: 674.03 Beilstein Registry Number: 1897870 EC Number: 218-054-0

GRADE & PURITY ≥95%(GC)

Synonyms

HVWXRMINOYZYCK-UHFFFAOYSA-N | MFCD00039412 | AKOS015907972 | E78014 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane | 1,1,2,2-Tetrahydroperfluorododecyl iodide | C12 Gamma-Omega Perfluoro Iodine | 1-Iodo-1H,1H,2H,2H-perfluorod

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

HVWXRMINOYZYCK-UHFFFAOYSA-N | MFCD00039412 | AKOS015907972 | E78014 | 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10-Henicosafluoro-12-iodododecane | 1, 1, 2, 2-Tetrahydroperfluorododecyl iodide | C12 Gamma-Omega Perfluoro Iodine | 1-Iodo-1H, 1H, 2H, 2H-perfluorod

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488184995
• Canonical Smiles: C(CI)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane
• InChIKey: HVWXRMINOYZYCK-UHFFFAOYSA-N
• INCHI: 1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
• Isomeric SMILES: C(CI)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• Molecular Weight: 674.03
• Beilstein: 1897870
• Reaxy-Rn: 1897869
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1897869&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organoiodides

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

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: light sensitive
• Boil Point(°C): 108°/10mm
• Melt Point(°C): 85-87℃
• Molecular Weight: 674.030 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 673.902 Da
• Monoisotopic Mass: 673.902 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 731.000
• 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