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

CAS: 629-27-6 Cat. No.: I157580 Fórmula: C₈H₁₇I Peso molecular: 240.13 Beilstein Registry Number: 1697480 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Desiccated

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488181644

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181644

Sonrisas canónicas

CCCCCCCCI

IUPAC Name

1-iodooctane

InChIKey

UWLHSHAHTBJTBA-UHFFFAOYSA-N

INCHI

1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

Isómeros SMILES

CCCCCCCCI

WGK Alemania

3

RTECS

RG9700100

Peso molecular

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
    • Clase Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: light sensitive
• Índice de refracción: 1.4878
• Punto de inflamación (°F): 203°F
• Punto de inflamación (°C): 95 °C
• Punto de ebullición (°C): 225-226 °C
• Punto de fusión (°C): -46~-45 °C
• Peso molecular: 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