Iodomethane-¹³C - ≥99 atom% 13C,≥99%, stabilized with copper , CAS No.4227-95-6

CAS: 4227-95-6 Cat. No.: I474105 Molecular Weight: 142.93 EC Number: 629-268-2

GRADE & PURITY ≥99 atom% 13C,≥99%, stabilized with copper

Synonyms

iodo(113C)methane | Iodomethane-13C, 99 atom % 13C, 99% (CP), contains copper as stabilizer | Iodomethane-13C, contains copper as stabilizer | MFCD00001075 | Iodomethane-13C (13C, 99%) | Iodomethane-13C (Copper Wire Stabilized) | AKOS015913587 | 13C Label

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

13CH3I, isotopically labeled methyl iodide.

Specifications

Synonyms

iodo(113C)methane | Iodomethane-13C, 99 atom % 13C, 99% (CP), contains copper as stabilizer | Iodomethane-13C, contains copper as stabilizer | MFCD00001075 | Iodomethane-13C (13C, 99%) | Iodomethane-13C (Copper Wire Stabilized) | AKOS015913587 | 13C Label

Specifications & Purity

≥99 atom% 13C, ≥99%, stabilized with copper

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥99 atom% 13C, ≥99%

Names and Identifiers

• Pubchem Sid: 504765179
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765179
• Canonical Smiles: [13CH3]I
• IUPAC Name: iodo(113C)methane
• InChIKey: INQOMBQAUSQDDS-OUBTZVSYSA-N
• INCHI: 1S/CH3I/c1-2/h1H3/i1+1
• Isomeric SMILES: [13CH3]I
• Alternate CAS: 74-88-4（Unlabelled）
• Molecular Weight: 142.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Halomethanes
• Alternative Parents: Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halomethane - Hydrocarbon derivative - Organoiodide - Alkyl iodide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halomethanes. These are organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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 sensitive；Moisture sensitive
• Boil Point(°C): 42 °C (lit.)
• Melt Point(°C): −66.5 °C (lit.)
• Molecular Weight: 142.932 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.931 Da
• Monoisotopic Mass: 142.931 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 2
• Formal Charge: 0
• Complexity: 2.000
• Isotope Atom Count: 1
• 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