Heptadecafluoro-1-iodooctane - ≥98% , CAS No.507-63-1

CAS: 507-63-1 Cat. No.: H122249 Molecular Weight: 545.96 Beilstein Registry Number: 1717141 EC Number: 208-079-5

GRADE & PURITY ≥98%

Synonyms

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane | 1-Iodoperfluorooctane | SCHEMBL51644 | Heptadecafluoro-1-iodooctane, 98% | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8- iodooctane | Heptadecafluorooctyl iodide | FD2082 | A828286 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8-Heptadecafluoro-8-iodooctane | 1-Iodoperfluorooctane | SCHEMBL51644 | Heptadecafluoro-1-iodooctane, 98% | 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8-heptadecafluoro-8- iodooctane | Heptadecafluorooctyl iodide | FD2082 | A828286 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181142
• Canonical Smiles: C(C(C(C(C(F)(F)I)(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-heptadecafluoro-8-iodooctane
• InChIKey: KWXGJTSJUKTDQU-UHFFFAOYSA-N
• INCHI: 1S/C8F17I/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)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 1
• RTECS: RG9700050
• Molecular Weight: 545.96
• Beilstein: 1717141
• Reaxy-Rn: 1717141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1717141&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; air sensitive
• Refractive Index: 1.329
• Flash Point(°F): 239 °F
• Flash Point(°C): 115 °C
• Boil Point(°C): 161°C
• Melt Point(°C): 25℃
• Molecular Weight: 545.960 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 545.877 Da
• Monoisotopic Mass: 545.877 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 527.000
• 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