2-Ethylhexyl iodide - ≥97% , CAS No.1653-16-3

CAS: 1653-16-3 Cat. No.: E468818 Formula: C₈H₁₇I Molecular Weight: 240.13 EC Number: 216-720-5

GRADE & PURITY ≥97%

Synonyms

Heptane, 3-(iodomethyl)-|3-(Iodomethyl)heptane|2-Ethylhexyl iodide|2-ETHYLHEXYLIODIDE|2-Ethyl-1-iodohexane|starbld0009825

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Heptane, 3-(iodomethyl)- | 3-(Iodomethyl)heptane | 2-Ethylhexyl iodide | 2-ETHYLHEXYLIODIDE | 2-Ethyl-1-iodohexane | starbld0009825

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

528756255

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756255

Canonical Smiles

CCCCC(CC)CI

IUPAC Name

3-(iodomethyl)heptane

InChIKey

WNPGSEJRPYSCDQ-UHFFFAOYSA-N

INCHI

1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

Isomeric SMILES

CCCCC(CC)CI

WGK Germany

3

Molecular Weight

240.13

Reaxy-Rn

1719283

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719283&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

• Sensitivity: light & Moisture sensitive
• x_refractive_index: 1.491
• x_flash_point_drop_fahrenheit: 174.2 °F
• x_flash_point_drop_centigrade: 79 °C
• x_boil_point_char: 90 °C/18 mmHg
• Molecular Weight: 240.120 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• 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: 52.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1