Iodomethane-d₃ - ≥99.5 atom% D,≥99%, stabilized with copper , CAS No.865-50-9

CAS: 865-50-9 Cat. No.: I434288 분자식: CD₃I 분자량: 144.96 Beilstein Registry Number: 1732026 EC 번호: 212-744-5 PubChem CID: 2723978

GRADE & PURITY ≥99.5 atom% D,≥99%, 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,Protected from light,Argon charged

Shipped In

Wet ice

개요

CD3I is isotopically deuterium- enriched reagent of methyl iodide.

Specifications

동의어

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

사양 및 순도

≥99.5 atom% D,≥99%, stabilized with copper

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥99.5 atom% D,≥99%

이름과 식별자

• Pubchem Sid: 508815542
• 정식 스마일: CI
• IUPAC Name: trideuterio(iodo)methane
• InChIKey: INQOMBQAUSQDDS-FIBGUPNXSA-N
• INCHI: 1S/CH3I/c1-2/h1H3/i1D3
• 이성체 SMILES: [2H]C([2H])([2H])I
• WGK 독일: 3
• 대체 CAS: 74-88-4
• PubChem CID: 2723978
• 분자량: 144.96
• Beilstein: 1732026

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light sensitive; Hygroscopic
• 굴절률: n20/D 1.5262 (lit.)
• 끓는점(°C): 42 °C (lit.)
• 녹는점(°C): -66.5 °C (lit.)
• 분자량: 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

참고 문헌

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]