Cyclohexene-d₁₀ - ≥98 atom% D , CAS No.1603-55-0

CAS: 1603-55-0 Cat. No.: C471943 Peso molecular: 92.21 Número EC: 106-327-6

GRADE & PURITY ≥98 atom% D

Synonyms

perdeutero cyclohexene | 1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexene | Cyclohexene-d10 | J-009713 | CYCLOHEXENE-D10, 98 ATOM % D | Cyclohexene-d10,98 atom % d | (~2~H_10_)Cyclohexene | D99173 | DTXSID00583823

Storage

Room temperature

Specifications

Sinónimos

perdeutero cyclohexene | 1, 2, 3, 3, 4, 4, 5, 5, 6, 6-decadeuteriocyclohexene | Cyclohexene-d10 | J-009713 | CYCLOHEXENE-D10, 98 ATOM % D | Cyclohexene-d10, 98 atom % d | (~2~H_10_)Cyclohexene | D99173 | DTXSID00583823

Especificaciones y pureza

≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98 atom% D

Nombres e identificadores

• Sonrisas canónicas: C1CCC=CC1
• IUPAC Name: 1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexene
• InChIKey: HGCIXCUEYOPUTN-KYJNQUCMSA-N
• INCHI: 1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2/i1D,2D,3D2,4D2,5D2,6D2
• Isómeros SMILES: [2H]C1=C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Número ONU: 2256
• Peso molecular: 92.21
• Reaxy-Rn: 906737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.442 (lit.)
• Punto de inflamación (°F): 10.4 °F - closed cup
• Punto de inflamación (°C): -12 °C - closed cup
• Punto de ebullición (°C): 83℃ (lit.)
• Punto de fusión (°C): −104℃ (lit.)
• Peso molecular: 92.200 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 92.141 Da
• Monoisotopic Mass: 92.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.100
• Isotope Atom Count: 10
• 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