Iodoethane-d5 - ≥99.5 atom% D,≥98% , CAS No.6485-58-1

CAS: 6485-58-1 Cat. No.: I357640 Formula: C₂D₅I Molecular Weight: 161.00 EC Number: 663-294-5

GRADE & PURITY ≥99.5 atom% D,≥98%

Synonyms

D98100 | Iodoethane-d5 | MFCD00001092 | Ethyl-d5 iodide | Iodoethane-d5, 99.5 atom % D, contains copper as stabilizer | IODOETHANE-D5-D | HY-W131797 | 1-Iodoethane-1,1,2,2,2-d5 | 1,1,1,2,2-pentadeuterio-2-iodoethane | A935700 | perdeuterioethyl iodide | I

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Iodoethane-d5 is used in a variety of organic chemical reactions including the synthesis of disubstituted α-amino acids through alkylation reaction. Also used in electrochemical reduction reactions in the preparation of carbamates.

Iodoethane-d5 is the deuterium labeled 1-Iodoethane

Specifications

Synonyms

D98100 | Iodoethane-d5 | MFCD00001092 | Ethyl-d5 iodide | Iodoethane-d5, 99.5 atom % D, contains copper as stabilizer | IODOETHANE-D5-D | HY-W131797 | 1-Iodoethane-1,1,2,2,2-d5 | 1,1,1,2,2-pentadeuterio-2-iodoethane | A935700 | perdeuterioethyl iodide | I

Specifications & Purity

≥99.5 atom% D,≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99.5 atom% D,≥98%

Names and Identifiers

• Canonical Smiles: CCI
• IUPAC Name: 1,1,1,2,2-pentadeuterio-2-iodoethane
• InChIKey: HVTICUPFWKNHNG-ZBJDZAJPSA-N
• INCHI: 1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])I
• Alternate CAS: 75-03-6（unlabled）
• Molecular Weight: 161.00

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

• Boil Point(°C): 69-73° C (lit.)
• Melt Point(°C): -108° C (lit.)
• Molecular Weight: 161.000 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.975 Da
• Monoisotopic Mass: 160.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• Isotope Atom Count: 5
• 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