Iodomethane-¹²C,d₃ - ≥98 atom% D,≥99.9 atom% 12C,≥99%, stabilized with copper , CAS No.865-50-9

CAS: 865-50-9 Cat. No.: I434289 Summenformel: CD₃I Molekulargewicht: 144.96 Beilstein Registry Number: 1732026 EG-Nummer: 212-744-5 PubChem CID: 2723978

GRADE & PURITY stabilized with copper

Synonyms

Methane-d3, iodo- | DTXSID20235599 | Iodomethane-d3 (Stabilized with Copper Wire) | Iodomethane-d3, >=99.5 atom % D, >=99% (CP), contains copper as stabilizer | EINECS 212-744-5 | Iodomethane-d3 | PB48673 | Methyl-d3 Iodide | MFCD00001074 | trideuterometh

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Methane-d3, iodo- | DTXSID20235599 | Iodomethane-d3 (Stabilized with Copper Wire) | Iodomethane-d3, >=99.5 atom % D, >=99% (CP), contains copper as stabilizer | EINECS 212-744-5 | Iodomethane-d3 | PB48673 | Methyl-d3 Iodide | MFCD00001074 | trideuterometh

Spezifikationen & Reinheit

≥98 atom% D,≥99.9 atom% 12C,≥99%, stabilized with copper

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: CI
• IUPAC Name: trideuterio(iodo)methane
• InChIKey: INQOMBQAUSQDDS-FIBGUPNXSA-N
• INCHI: 1S/CH3I/c1-2/h1H3/i1D3
• Isomere SMILES: [2H]C([2H])([2H])I
• WGK Deutschland: 3
• Alternative CAS-Nummer: 74-88-4
• PubChem CID: 2723978
• Molekulargewicht: 144.96
• Beilstein: 1732026

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.5262 (lit.)
• Siedepunkt (°C): 42 °C (lit.)
• Schmelzpunkt (°C): -66.5 °C (lit.)
• Molekulargewicht: 144.957 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 144.947 Da
• Monoisotopic Mass: 144.947 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 2
• Formal Charge: 0
• Complexity: 2.000
• Isotope Atom Count: 3
• 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

Referenzen

1. Zhang Haochen, Li Chunsong, Liu Wenxuan, Luo Guangsheng, Goddard William A., Cheng Mu-Jeng, Xu Bingjun, Lu Qi.  (2023)  Activation of light alkanes at room temperature and ambient pressure.  Nature Catalysis,  6  (8): (666-675).  [PMID:] [10.1038/s41929-023-00990-9]

2. Wang Xueting, Chang Rui, Ji Zhongyin, Song Jinying, Yuan Fei, Zhang Shijuan.  (2022)  Improved Extraction and Detection Method for Bisphenols Using Stable Isotope Labeling Technique.  Food Analytical Methods,  16  (2): (281-292).  [PMID:] [10.1007/s12161-022-02413-0]

3. Luping Sun, Shuyun Zhu, Zhenjia Zheng, Jing Sun, Xian-En Zhao, Huwei Liu.  (2020)  9-Plex ultra high performance liquid chromatography tandem mass spectrometry determination of free hydroxyl polycyclic aromatic hydrocarbons in human plasma and urine.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32505283] [10.1016/j.chroma.2020.461182]

4. Min Tao, Li Zhang, Yinlong Guo.  (2018)  Dual-Channel Enzymatic Inhibition Measurement (DEIM) Coupling Isotope Substrate via Matrix-Assisted Laser Desorption/Ionization Time of Flight Mass Spectrometry.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:30159674] [10.1007/s13361-018-2054-3]

5. Anyi Sun, Chen Yu, Zhuoran Xing, Yujie Hao, Hongjuan Li, Yan Ren.  (2025)  An ultra-performance liquid chromatography–high-resolution mass spectrometry method for comprehensive profiling and quantification of free fatty acids in edible oils.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118353]

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is isotopically enriched to ≥99.9 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 865-50-9, the molecular formula is CD3I, and the molecular weight is 144.96 g/mol. InChIKey INQOMBQAUSQDDS-FIBGUPNXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.