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

CAS: 1603-55-0 Cat. No.: C471943 Molecular Weight: 92.21 EC Number: 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

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

Specifications & Purity

≥98 atom% D

Storage

Room temperature

Purity

≥98 atom% D

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C1=C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• UN Number: 2256
• Molecular Weight: 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
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.442 (lit.)
• Flash Point(°F): 10.4 °F - closed cup
• Flash Point(°C): -12 °C - closed cup
• Boil Point(°C): 83℃ (lit.)
• Melt Point(°C): −104℃ (lit.)
• Molecular Weight: 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