Acetonitrile-d₃ - ≥99.8 atom% D, contains 1 % (v/v) TMS , CAS No.2206-26-0

CAS: 2206-26-0 Cat. No.: A432333 分子式: CD₃CN 分子量: 44.07 Beilstein Registry Number: 1740230 EC番号: 218-616-5

グレード＆純度 ≥99.8 atom% D, contains 1 % (v/v) TMS

Synonyms

EINECS 218-616-5 | D88498 | Acetonitrile-d3, 99.8 atom % D | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium iodide | Acetonitrile-d3, '100%', 99.96 atom % D | J-506713 | Acetonitrile-d3, >=99.8 atom % D | AKOS015904206 | Acetonitrile-d3, 99.8 atom % D, co

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

EINECS 218-616-5 | D88498 | Acetonitrile-d3, 99.8 atom % D | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium iodide | Acetonitrile-d3, '100%', 99.96 atom % D | J-506713 | Acetonitrile-d3, >=99.8 atom % D | AKOS015904206 | Acetonitrile-d3, 99.8 atom % D, co

仕様と純度

≥99.8 atom% D, contains 1 % (v/v) TMS

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥99.8 atom% D

名前と識別子

カノニカル・スマイル

CC#N

IUPAC Name

2,2,2-trideuterioacetonitrile

InChIKey

WEVYAHXRMPXWCK-FIBGUPNXSA-N

INCHI

1S/C2H3N/c1-2-3/h1H3/i1D3

異性体SMILES

[2H]C([2H])([2H])C#N

WGKドイツ

2

代替CAS番号

75-05-8(Unlabeled)

UN番号

1648

分子量

44.07

Beilstein

1740230

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

化学的性質と物理的性質

• 感度: light & Moisture sensitive
• 屈折率: 1.341 (lit.)
• 引火点（°F）: 35.6 °F
• 引火点（°C）: 2.00 °C
• 沸点（°C）: 80.7°C
• 融点（°C）: -46 °C (lit.)
• 分子量: 44.070 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 44.0454 Da
• Monoisotopic Mass: 44.0454 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 29.300
• 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

よくある質問

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99.8 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2206-26-0, the molecular formula is CD3CN, and the molecular weight is 44.07 g/mol. InChIKey WEVYAHXRMPXWCK-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.