1-Iodooctane (stabilized with Copper chip) - ≥97%(GC) , CAS No.629-27-6

CAS: 629-27-6 Cat. No.: I157580 Summenformel: C₈H₁₇I Molekulargewicht: 240.13 Beilstein Registry Number: 1697480 EG-Nummer: 211-084-5

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS009031583 | 1-iodoctane | POTASSIUM(4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE | 1-Iodooctane, purum, >=97.0% (GC) | 1-n-Octyl iodide | EINECS 211-084-5 | J-802038 | BRN 1697479 | SCHEMBL84103 | A834094 | n-octyliodide | Octane, 1-iodo- | BBL027322 | J-8

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Übersicht

It undergoes catalytic reduction by nickel (I) salen electrogenerated at a glassy carbon cathode in dimethylformamide. Radical mechanism of formation of monolayer on silicon ground in the presence of 1-iodooctane has been studied by X-ray photoelectron spectroscopy.

Alkylation of [2,2-([2,2-bipyridine]-6,6-diyl)bis[phenolato]-N,N,O,O]nickel(II)was performed using the catalytic reduction of 1-iodooctane. Primary alkyl iodide 1-iodooctane reacts with lithium aluminum deuteride (LAD) in a 1:0.2 ratio to form 1-deuteriooctane.

Specifications

Synonyme

AKOS009031583 | 1-iodoctane | POTASSIUM(4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE | 1-Iodooctane, purum, >=97.0% (GC) | 1-n-Octyl iodide | EINECS 211-084-5 | J-802038 | BRN 1697479 | SCHEMBL84103 | A834094 | n-octyliodide | Octane, 1-iodo- | BBL027322 | J-8

Spezifikationen & Reinheit

≥97%(GC)

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 488181644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181644
• Kanonisches Lächeln: CCCCCCCCI
• IUPAC Name: 1-iodooctane
• InChIKey: UWLHSHAHTBJTBA-UHFFFAOYSA-N
• INCHI: 1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
• Isomere SMILES: CCCCCCCCI
• WGK Deutschland: 3
• RTECS: RG9700100
• Molekulargewicht: 240.13
• Beilstein: 1697480
• Reaxy-Rn: 1697479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: light sensitive
• Brechungsindex: 1.4878
• Flammpunkt (°F): 203°F
• Flammpunkt (°C): 95 °C
• Siedepunkt (°C): 225-226 °C
• Schmelzpunkt (°C): -46~-45 °C
• Molekulargewicht: 240.120 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 240.037 Da
• Monoisotopic Mass: 240.037 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 43.800
• 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