1-Ethynyl-1-cyclohexene（with stabilized BHT） - ≥98%(GC) , CAS No.931-49-7

CAS: 931-49-7 Cat. No.: E156239 Summenformel: C₈H₁₀ Molekulargewicht: 106.17 EG-Nummer: 618-915-4

GRADE & PURITY ≥98%(GC)

Synonyms

1-Ethynylcyclohexene, 99% | 7TJ42SRP2Z | ethynylcyclohexene | MFCD00001568 | DTXSID5073244 | Cyclohexene, 1-ethynyl- | CYCLOHEX-1-ENYLACETYLENE | cyclohexenylacetylene | InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H | SY045891 | F14623 | 1-ethynyl-1-cyclo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

1-Ethynylcyclohexene, 99% | 7TJ42SRP2Z | ethynylcyclohexene | MFCD00001568 | DTXSID5073244 | Cyclohexene, 1-ethynyl- | CYCLOHEX-1-ENYLACETYLENE | cyclohexenylacetylene | InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H | SY045891 | F14623 | 1-ethynyl-1-cyclo

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504755348
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755348
• Kanonisches Lächeln: C#CC1=CCCCC1
• IUPAC Name: 1-ethynylcyclohexene
• InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
• INCHI: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
• Isomere SMILES: C#CC1=CCCCC1
• WGK Deutschland: 3
• UN-Nummer: 3295
• Verpackungsgruppe: III
• Molekulargewicht: 106.17
• Reaxy-Rn: 1421318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Klasse Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Enynes Cycloalkenes Acetylides Unsaturated aliphatic hydrocarbons Acetylenes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Enyne - Acetylide - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Acetylene - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive
• Brechungsindex: 1.5
• Flammpunkt (°F): 84.2 °F
• Flammpunkt (°C): 29 °C
• Siedepunkt (°C): 151 °C
• Molekulargewicht: 106.160 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 106.078 Da
• Monoisotopic Mass: 106.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• 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

Referenzen

1. Lingqi Huang, Kecheng Hu, Ganggang Ye, Zhibin Ye.  (2021)  Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111535]