Bicyclo[2.2.1]hept-2-ene - ≥99% , CAS No.498-66-8

CAS: 498-66-8 Cat. No.: B109700 Molecular Weight: 94.15 Beilstein Registry Number: 1098544 EC Number: 207-866-0

GRADE & PURITY ≥99%

Synonyms

AKOS009157173 | Bicyclo[2.2.1]-2-heptene | bicyclo [2.2.1] hept-2-ene | FT-0613233 | 2-NORBORNENE | N0166 | NSC120425 | NSC-120425 | Q420176 | Norcamphene | E78935 | EN300-54688 | WLN: L55 A CUTJ | bicyclo[2,2,1]-2-heptene | DTXSID2022042 | Bicyclo[2.2.1]

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS009157173 | Bicyclo[2.2.1]-2-heptene | bicyclo [2.2.1] hept-2-ene | FT-0613233 | 2-NORBORNENE | N0166 | NSC120425 | NSC-120425 | Q420176 | Norcamphene | E78935 | EN300-54688 | WLN: L55 A CUTJ | bicyclo[2, 2, 1]-2-heptene | DTXSID2022042 | Bicyclo[2.2.1]

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CC2CC1C=C2
• IUPAC Name: bicyclo[2.2.1]hept-2-ene
• InChIKey: JFNLZVQOOSMTJK-UHFFFAOYSA-N
• INCHI: 1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
• Isomeric SMILES: C1CC2CC1C=C2
• WGK Germany: 1
• RTECS: RB7900000
• UN Number: 1325
• Molecular Weight: 94.15
• Beilstein: 1098544
• Reaxy-Rn: 1098544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098544&ln=

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 ethanol, ether and most organic solvents. Insoluble in water.
• Flash Point(°F): 17.6 °F
• Flash Point(°C): -15℃
• Boil Point(°C): 96°C
• Melt Point(°C): 42-46°C
• Molecular Weight: 94.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 94.0783 Da
• Monoisotopic Mass: 94.0783 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yi Liu, Ying Chen, Shuang Ma, Xianlong Liu, Xiangwen Zhang, Ji-Jun Zou, Lun Pan.  (2022)  Synthesis of advanced fuel with density higher than 1 g/mL by photoinduced [2 + 2] cycloaddition of norbornene.  FUEL,      [PMID:] [10.1016/j.fuel.2022.123629]

2. Xuewen Guo, Xin Liu, Hongying Su, Shaoyun Shan, Qingming Jia.  (2017)  Chemical fixation of SO2 using norbornene with different side-chain groups and control of the physical properties of poly(olefin sulfone).  POLYMER INTERNATIONAL,  66  (11): (1530-1537).  [PMID:] [10.1002/pi.5410]