1,5-Cyclooctadiene(COD) - ≥99%, contains 50-150 ppm TBC as stabilizer , CAS No.111-78-4

CAS: 111-78-4 Cat. No.: C103217 Molecular Weight: 108.18 Beilstein Registry Number: 2036542 EC Number: 203-907-1

GRADE & PURITY ≥99%, contains 50-150 ppm TBC as stabilizer

Synonyms

Cycloocta-1,5-diene | cis,cis-1,5-Cyclooctadiene | (Z,Z)-1,5-Cyclooctadiene | (1Z,5Z)-cycloocta-1,5-diene | cis-1,5-cyclooctadiene | 1,5-COD | COD

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Surface grafting of cis,cis-1,5-cyclooctadiene (cyclic olefin) with low strain energy was explored using ring-opening metathesis polymerization in the vapor phase. The inclusion complex of cis,cis-1,5-cyclooctadiene with β-cyclodextrin (β-CD) was studied by using proton NMR spectroscopy.
cis,cis-1,5-Cyclooctadiene (COD) has been employed as ligand: . during regio- and stereoselective synthesis of (Z)-1,2-dihaloalkenes . in the preparation of metal complexes, e.g. bis-COD-nickel, a versatile reagent for preparing (PI)-allylnickel halides

Specifications

Synonyms

Cycloocta-1, 5-diene | cis, cis-1, 5-Cyclooctadiene | (Z, Z)-1, 5-Cyclooctadiene | (1Z, 5Z)-cycloocta-1, 5-diene | cis-1, 5-cyclooctadiene | 1, 5-COD | COD

Specifications & Purity

≥99%, contains 50-150 ppm TBC as stabilizer

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504755642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755642
• Canonical Smiles: C1CC=CCCC=C1
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene
• InChIKey: VYXHVRARDIDEHS-QGTKBVGQSA-N
• INCHI: 1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-
• Isomeric SMILES: C1/C=C\CC/C=C\C1
• WGK Germany: 3
• RTECS: GX9560000
• Alternate CAS: 1552-12-1
• UN Number: 2520
• Packing Group: III
• Molecular Weight: 108.18
• Beilstein: 2036542
• Reaxy-Rn: 8132073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132073&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

• Solubility: Insoluble in water, soluble in benzene.
• Sensitivity: Air & light & heat Sensitive
• Refractive Index: 1.4688
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 38 °C
• Boil Point(°C): 150°C
• Melt Point(°C): -69 °C
• Molecular Weight: 108.180 g/mol
• XLogP3: 3.200
• 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: 72.600
• 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

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