1-Iododecane (stabilized with Copper chip) - ≥96%(GC) , CAS No.2050-77-3

CAS: 2050-77-3 Cat. No.: I157555 Formula: C₁₀H₂₁I Molecular Weight: 268.18 Beilstein Registry Number: 1735230 EC Number: 218-104-1

GRADE & PURITY ≥96%(GC)

Synonyms

n-Decyl iodide | F0001-0726 | 1-Decyl iodide | iododecane | AS-56656 | 1-IODODECANE | 1-iodo-decane | 1-Iod0decane | Decyl iodide | MFCD00001085 | D95272 | I0494 | DTXSID9062142 | EINECS 218-104-1 | SCHEMBL527258 | 1-Iododecane, 98% | AKOS009031584 | FT-0

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Electrochemical reduction of 1-iododecane at mercury cathodes in DMF containing tetra-n-butylammonium perchlorate or tetramethyl ammonium perchlorate (supporting electrolyte) has been investigated.

Specifications

Synonyms

n-Decyl iodide | F0001-0726 | 1-Decyl iodide | iododecane | AS-56656 | 1-IODODECANE | 1-iodo-decane | 1-Iod0decane | Decyl iodide | MFCD00001085 | D95272 | I0494 | DTXSID9062142 | EINECS 218-104-1 | SCHEMBL527258 | 1-Iododecane, 98% | AKOS009031584 | FT-0

Specifications & Purity

≥96%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

Pubchem Sid

488182229

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182229

Canonical Smiles

CCCCCCCCCCI

IUPAC Name

1-iododecane

InChIKey

SKIDNYUZJPMKFC-UHFFFAOYSA-N

INCHI

1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Isomeric SMILES

CCCCCCCCCCI

WGK Germany

3

RTECS

HD8705000

Molecular Weight

268.18

Beilstein

1735230

Reaxy-Rn

1735228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735228&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: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - 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

• Solubility: Immiscible with water.
• Sensitivity: light sensitive ;air sensitive
• Refractive Index: 1.49
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 132°C/15mmHg(lit.)
• Melt Point(°C): -16°C
• Molecular Weight: 268.180 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 268.069 Da
• Monoisotopic Mass: 268.069 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 61.900
• 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

Frequently Asked Questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2050-77-3, the molecular formula is C10H21I, and the molecular weight is 268.18 g/mol. InChIKey SKIDNYUZJPMKFC-UHFFFAOYSA-N.