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

CAS: 1735-17-7 Cat. No.: C305176 Summenformel: C₆D₁₂ Molekulargewicht: 96.23 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥99.9 atom% D

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥99.9 atom% D

Namen und Kennungen

• Pubchem Sid: 504756900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756900
• Kanonisches Lächeln: 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
• Isomere SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Alternative CAS-Nummer: 110-82-7（unlabelled）
• Molekulargewicht: 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
    • Klasse Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic；Light sensitive
• Siedepunkt (°C): 80.7 °C
• Schmelzpunkt (°C): 6.5°C
• Molekulargewicht: 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