Cyclohexane-d12 - ≥99.9 atom% D , CAS No.1735-17-7

CAS: 1735-17-7 Cat. No.: C305176 Fórmula: C₆D₁₂ Peso molecular: 96.23 Número CE: 217-077-3

GRADE & PURITY ≥99.9 atom% D

Synonyms

AKOS015903944 | EINECS 217-077-3 | DTXSID80169624 | J-010915 | Cyclohexane-d12, 99.5 atom % D | Cyclohexane-d12, >=99.6 atom % D | Cyclohexane-d12 | (?H??)cyclohexane | Cyclohexane # | (2H12)Cyclohexane | MFCD00044212 | Cyclohexane D12 >99.5% | XDTMQSROBM

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

AKOS015903944 | EINECS 217-077-3 | DTXSID80169624 | J-010915 | Cyclohexane-d12, 99.5 atom % D | Cyclohexane-d12, >=99.6 atom % D | Cyclohexane-d12 | (?H??)cyclohexane | Cyclohexane # | (2H12)Cyclohexane | MFCD00044212 | Cyclohexane D12 >99.5% | XDTMQSROBM

Especificações e pureza

≥99.9 atom% D

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Desiccated

Enviado em

Normal

Pureza

≥99.9 atom% D

Nomes e identificadores

• Pubchem Sid: 504756900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756900
• Sorrisos canónicos: 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
• SMILES isoméricas: [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 molecular: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic；Light sensitive
• Ponto de ebulição (°C): 80.7 °C
• Ponto de fusão (°C): 6.5°C
• Peso molecular: 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