5-Ethylidene-2-norbornene - ≥98%(GC), stabilized with BHT , CAS No.16219-75-3

CAS: 16219-75-3 Cat. No.: E156238 Formula: C₉H₁₂ Molecular Weight: 120.2 EC Number: 240-347-7

GRADE & PURITY ≥98%(GC), stabilized with BHT

Synonyms

ENB | ethylidene-norbornene | 5-ethylidene 2-norbornene | DTXSID1025306 | FT-0690475 | OJOWICOBYCXEKR-UHFFFAOYSA-N | 5-ETHYLIDENE-2-NORBORNENE | AKOS028109999 | Ethylidene-2-norbornene | 5-ethylidenebicy-clo[2.2.1]hept-2-ene

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

ENB | ethylidene-norbornene | 5-ethylidene 2-norbornene | DTXSID1025306 | FT-0690475 | OJOWICOBYCXEKR-UHFFFAOYSA-N | 5-ETHYLIDENE-2-NORBORNENE | AKOS028109999 | Ethylidene-2-norbornene | 5-ethylidenebicy-clo[2.2.1]hept-2-ene

Specifications & Purity

≥98%(GC), stabilized with BHT

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504753365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753365

Canonical Smiles

CC=C1CC2CC1C=C2

IUPAC Name

5-ethylidenebicyclo[2.2.1]hept-2-ene

InChIKey

OJOWICOBYCXEKR-UHFFFAOYSA-N

INCHI

1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3

Isomeric SMILES

CC=C1CC2CC1C=C2

WGK Germany

2

RTECS

RB9450000

UN Number

1993

Packing Group

I

Molecular Weight

120.2

Reaxy-Rn

2039935

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039935&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Polycyclic hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: air sensitive
• Refractive Index: 1.49
• Flash Point(°F): 82.4 °F
• Flash Point(°C): 28 °C
• Boil Point(°C): 146°C
• Molecular Weight: 120.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1