cis,cis-1,3-Cyclooctadiene - ≥98% , CAS No.3806-59-5

CAS: 3806-59-5 Cat. No.: C333998 Peso molecular: 108.18 Beilstein Registry Number: 1901033 Número EC: 628-078-7

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Descripción general

The photosensitized cyclization of cis,cis-1,3-cyclooctadiene to bicyclo[4.2.0]oct-7-ene was studied. It proceeded by first isomerization of the diene to its cis, trans isomer followed by cyclization

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189370
• Sonrisas canónicas: C1CCC=CC=CC1
• IUPAC Name: (1Z,3Z)-cycloocta-1,3-diene
• InChIKey: RRKODOZNUZCUBN-CCAGOZQPSA-N
• INCHI: 1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
• Isómeros SMILES: C1C/C=C\C=C/CC1
• WGK Alemania: 3
• Número ONU: 1992
• Grupo de embalaje: III
• Peso molecular: 108.18
• Beilstein: 1901033
• Reaxy-Rn: 2321915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2321915&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

• Solubilidad: Insoluble in water.
• Índice de refracción: 1.493
• Punto de inflamación (°F): 75.2 °F
• Punto de inflamación (°C): 24 °C
• Punto de ebullición (°C): 55° C (lit.) at 34 mmHg
• Punto de fusión (°C): -53--51° C (lit.)
• Peso molecular: 108.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 108.094 Da
• Monoisotopic Mass: 108.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 84.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

1. Yongpeng Ma, Chaobin Shi, Qinyuan Hong, Jianghui Du, Hongzhong Zhang, Xuanhui Zheng, Zan Qu, Xiaojing Zhang, Haomiao Xu.  (2025)  Harnessing graft copolymerization and inverse vulcanization to engineer sulfur-enriched copolymers for the selective uptake of heavy metals.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.131902]