Cyclohexane-d12 - ≥99.5 atom% D , CAS No.1735-17-7

CAS: 1735-17-7 Cat. No.: C1461520 Formula: C₆D₁₂ Peso molecolare: 96.23 Numero EC: 217-077-3

GRADE & PURITY ≥99.5 atom% D

Synonyms

Dodecadeuterocyclohexane | Perdeuteriocyclohexane

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

Dodecadeuterocyclohexane | Perdeuteriocyclohexane

Specifiche e purezza

≥99.5 atom% D

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Desiccated

Spedito in

Normal

Purezza

≥99.5 atom% D

Nomi e identificatori

• Sorrisi canonici: C1CCCCC1
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane
• InChIKey: XDTMQSROBMDMFD-LBTWDOQPSA-N
• INCHI: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
• Isomeri SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• CAS alternativo: 110-82-7（unlabelled）
• Peso molecolare: 96.23
• Reaxy-Rn: 1900225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900225&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

• Sensibilità: Hygroscopic；Light sensitive
• Punto di ebollizione (°C): 80.7 °C
• Punto di fusione (°C): 6.5°C
• Peso molecolare: 96.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 96.1692 Da
• Monoisotopic Mass: 96.1692 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• Isotope Atom Count: 12
• 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 ≥99.5 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1735-17-7, the molecular formula is C6D12, and the molecular weight is 96.23 g/mol. InChIKey XDTMQSROBMDMFD-LBTWDOQPSA-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.