Methylcyclohexane-d₁₄ - ≥99.5 atom% D , CAS No.10120-28-2

CAS: 10120-28-2 Cat. No.: M118385 Formule: C₆D₁₁CD₃ Poids moléculaire: 112.27 Numéro CE: 233-325-3

GRADE & PURITY ≥99.5 atom% D

Synonyms

1-(~2~H_3_)Methyl(~2~H_11_)cyclohexane | DTXSID80905983 | Cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11,6-(methyl-d3)- | Cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11, 6-(methyl-d3)- | AKOS015904074 | AS-75601 | Cyclohexane-d11, methyl-d3- | J-000337 | D97998 | EINECS 23

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-(~2~H_3_)Methyl(~2~H_11_)cyclohexane | DTXSID80905983 | Cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11,6-(methyl-d3)- | Cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11, 6-(methyl-d3)- | AKOS015904074 | AS-75601 | Cyclohexane-d11, methyl-d3- | J-000337 | D97998 | EINECS 23

Spécifications et pureté

≥99.5 atom% D

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99.5 atom% D

Noms et identifiants

• Pubchem Sid: 504759141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759141
• Sourires canoniques: CC1CCCCC1
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6-undecadeuterio-6-(trideuteriomethyl)cyclohexane
• InChIKey: UAEPNZWRGJTJPN-OBYKGMMLSA-N
• INCHI: 1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D
• Isomères SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C([2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• WGK Allemagne: 3
• CAS alternatif: 108-87-2 (Unlabeled)
• Numéro ONU: 2296
• Poids moléculaire: 112.27
• Reaxy-Rn: 505972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505972&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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4189
• Point d'éclair (°F): 24.8 °F
• Point d'éclair (°C): -4°C
• Point d'ébullition (°C): 101°C
• Point de fusion (°C): -126°C
• Poids moléculaire: 112.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.197 Da
• Monoisotopic Mass: 112.197 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 42.000
• Isotope Atom Count: 14
• 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