Heptane-d₁₆ - ≥98 atom% D , CAS No.33838-52-7

CAS: 33838-52-7 Cat. No.: H1492873 Formula: CD₃(CD₂)₅CD₃ Peso molecolare: 116.3 Numero EC: 680-746-7

GRADE & PURITY ≥98 atom% D

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98 atom% D

Nomi e identificatori

• Sorrisi canonici: CCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane
• InChIKey: IMNFDUFMRHMDMM-NEBSKJCTSA-N
• INCHI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2
• Isomeri SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• WGK Germania: 3
• CAS alternativo: 142-82-5(unlabelled)
• Numero UN: 1206
• Gruppo di imballaggio: II
• Peso molecolare: 116.3
• Reaxy-Rn: 1730763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon 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

Proprietà chimiche e fisiche

• Solubilità: Difficult to mix.
• Sensibilità: Light &Moisture sensitive.
• Indice di rifrazione: 1.3844
• Punto di infiammabilità (°F): 24.8℉
• Punto di infiammabilità (°C): -4°C
• Punto di ebollizione (°C): 98°C
• Punto di fusione (°C): -91°C
• Peso molecolare: 116.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 116.226 Da
• Monoisotopic Mass: 116.226 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 19.200
• Isotope Atom Count: 16
• 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

Domande frequenti

What is the isotopic enrichment 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. 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 33838-52-7, the molecular formula is CD3(CD2)5CD3, and the molecular weight is 116.3 g/mol. InChIKey IMNFDUFMRHMDMM-NEBSKJCTSA-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.