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

CAS: 1603-55-0 Cat. No.: C471943 Formula: C₆H₁₀ Peso molecolare: 92.21 Numero 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

Sinonimi

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

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98 atom% D

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C1=C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Numero UN: 2256
• Peso molecolare: 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
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.442 (lit.)
• Punto di infiammabilità (°F): 10.4 °F - closed cup
• Punto di infiammabilità (°C): -12 °C - closed cup
• Punto di ebollizione (°C): 83℃ (lit.)
• Punto di fusione (°C): −104℃ (lit.)
• Peso molecolare: 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