5-Vinylbicyclo[2.2.1]hept-2-ene - ≥98%, stabilized with BHT , CAS No.3048-64-4

CAS: 3048-64-4 Cat. No.: V162957 Molecular Weight: 120.2 EC Number: 221-259-8 PubChem CID: 18273

GRADE & PURITY ≥98%, stabilized with BHT

Synonyms

5-Vinylbicyclo[2.2.1]hept-2-ene (stabilized with BHT) | O26JW4DH9I | HSDB 6336 | WLN: L55 A CUTJ F1U1 | Exo-5-vinylbicyclo[2.2.1]hept-2-ene | UNII-O26JW4DH9I | AKOS025295103 | Vinylnorbornene (VAN) | 5-Vinylnorbornene | Endo-5-vinylbicyclo[2.2.1]hept-2-en

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

5-Vinylbicyclo[2.2.1]hept-2-ene (stabilized with BHT) | O26JW4DH9I | HSDB 6336 | WLN: L55 A CUTJ F1U1 | Exo-5-vinylbicyclo[2.2.1]hept-2-ene | UNII-O26JW4DH9I | AKOS025295103 | Vinylnorbornene (VAN) | 5-Vinylnorbornene | Endo-5-vinylbicyclo[2.2.1]hept-2-en

Specifications & Purity

≥98%, stabilized with BHT

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182453
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182453
• Canonical Smiles: C=CC1CC2CC1C=C2
• IUPAC Name: 5-ethenylbicyclo[2.2.1]hept-2-ene
• InChIKey: INYHZQLKOKTDAI-UHFFFAOYSA-N
• INCHI: 1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2
• Isomeric SMILES: C=CC1CC2CC1C=C2
• WGK Germany: 2
• RTECS: RC0350000
• PubChem CID: 18273
• UN Number: 1992
• Packing Group: III
• Molecular Weight: 120.2
• Reaxy-Rn: 1903874

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• 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: Soluble in Methanol
• Refractive Index: 1.48
• Flash Point(°F): 82.4 °F
• Flash Point(°C): 28 °C
• Boil Point(°C): 141 °C
• Molecular Weight: 120.190 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 120.094 Da
• Monoisotopic Mass: 120.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1