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

CAS: 1735-17-7 Cat. No.: C305176 分子式: C₆D₁₂ 分子量: 96.23 EC番号: 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

同義語

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

仕様と純度

≥99.9 atom% D

保管条件

Protected from light,Room temperature,Desiccated

入荷

Normal

純度

≥99.9 atom% D

名前と識別子

• パブケム・シド: 504756900
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756900
• カノニカル・スマイル: 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
• 異性体SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• 代替CAS番号: 110-82-7（unlabelled）
• 分子量: 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
    • 分類 Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Hygroscopic；Light sensitive
• 沸点（°C）: 80.7 °C
• 融点（°C）: 6.5°C
• 分子量: 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