Cas no 75560-39-3 (Ethane-13C, 1-iodo-)

Technical Introduction: Ethane-13C, 1-iodo- Ethane-13C, 1-iodo- is a stable isotope-labeled compound where the carbon-13 (^13C) isotope is incorporated into the ethane backbone, specifically at the first position, with an iodine substituent. This labeled derivative is valuable in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) applications, providing enhanced signal detection and precise tracking in metabolic or mechanistic studies. The presence of the iodine moiety further enables functionalization in synthetic chemistry, making it a versatile intermediate for isotopic labeling in pharmaceuticals, agrochemicals, and materials science. Its high isotopic purity and chemical stability ensure reliable performance in research and analytical workflows.
Ethane-13C, 1-iodo- structure
Ethane-13C, 1-iodo- structure
Product Name:Ethane-13C, 1-iodo-
CAS No:75560-39-3
MF:C2H5I
MW:156.958227872849
CID:562793
PubChem ID:12208633
Update Time:2025-06-09

Ethane-13C, 1-iodo- Chemical and Physical Properties

Names and Identifiers

    • Ethane-13C, 1-iodo-
    • Iodoethane-1-13C
    • 75560-39-3
    • Iodoethane-1-13C, 99 atom % 13C, 99% (CP), contains copper as stabilizer
    • DTXSID50480510
    • Ethyl-1-13C iodide
    • iodo(113C)ethane
    • SCHEMBL1332288
    • 1-Iodoethane-13C
    • AKOS015913402
    • Inchi: 1S/C2H5I/c1-2-3/h2H2,1H3/i2+1
    • InChI Key: HVTICUPFWKNHNG-VQEHIDDOSA-N
    • SMILES: I[13CH2]C

Computed Properties

  • Exact Mass: 156.94695g/mol
  • Monoisotopic Mass: 156.94695g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 2.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.975?g/mL?at 25?°C
  • Melting Point: -108?°C(lit.)
  • Boiling Point: 69-73?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.512(lit.)

Ethane-13C, 1-iodo- Security Information

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Additional information on Ethane-13C, 1-iodo-

Ethane-13C, 1-Iodo: A Comprehensive Overview

Ethane-13C, 1-iodo (CAS No. 75560-39-3) is a specialized organic compound that has garnered significant attention in the fields of organic synthesis, materials science, and isotopic labeling. This compound is characterized by its unique structure, where a carbon atom in the ethane molecule is replaced by the stable isotope carbon-13 (13C), and one of the hydrogen atoms is substituted with an iodine atom. This combination makes it a valuable tool in various research and industrial applications.

The Ethane-13C, 1-iodo compound exhibits distinct physical and chemical properties due to the presence of the iodine atom and the carbon isotope. Iodine's high atomic mass and polarizing power significantly influence the compound's reactivity, making it highly useful in radical reactions and organometallic chemistry. Recent studies have highlighted its role in synthesizing complex organic molecules, particularly in the construction of biologically active compounds. The carbon isotope aspect adds another layer of utility, as it allows for precise tracking and quantification in metabolic studies and natural product synthesis.

One of the most notable applications of Ethane-13C, 1-iodo is in the field of isotopic labeling. Researchers utilize this compound to study reaction mechanisms and pathways by incorporating it into target molecules. For instance, its use in enzymology has provided insights into substrate binding and catalytic processes. Moreover, advancements in mass spectrometry techniques have further enhanced the ability to detect and analyze compounds labeled with 13C, making this compound indispensable in modern analytical chemistry.

Recent breakthroughs in green chemistry have also brought Ethane-13C, 1-iodo into focus. Its ability to participate in catalytic cycles with reduced environmental impact has made it a preferred choice for sustainable synthesis methods. For example, its use as an intermediate in the production of pharmaceuticals has been optimized to minimize waste and energy consumption.

In terms of physical properties, Ethane-13C, 1-iodo has a boiling point slightly higher than regular ethane due to the increased molecular weight from iodine substitution. Its solubility characteristics make it suitable for use in both polar and non-polar solvents, depending on the specific application. The compound's stability under standard conditions ensures safe handling and storage, provided proper precautions are taken to avoid exposure to moisture or strong oxidizing agents.

From a synthetic perspective, Ethane-13C, 1-iodo can be prepared through various routes, including halogenation reactions of ethane derivatives or direct substitution methods using iodine-based reagents. The choice of synthesis pathway depends on the desired purity level and scale of production. Recent advancements in catalytic systems have improved yields and reduced reaction times, making large-scale production more feasible.

Looking ahead, the demand for Ethane-13C, 1-iodo is expected to grow as researchers continue to explore its potential in emerging fields such as nanotechnology and drug delivery systems. Its unique combination of isotopic properties and chemical reactivity positions it as a key player in advancing both academic research and industrial applications.

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