Dicyclopentadiene - ≥96%(GC), mixture of isomers , CAS No.77-73-6

CAS: 77-73-6 Cat. No.: D433981 Formula: C₁₀H₁₂ Molecular Weight: 132.2 Beilstein Registry Number: 1904092 EC Number: 201-052-9

GRADE & PURITY ≥96%(GC), mixture of isomers

Synonyms

Biscyclopentadiene | 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro- | 3a,4,7,7a-Tetrahydro-4,7-methanoindene | Bicyclopentadiene | CAS-77-73-6 | Dimer cyklopentadienu | NSC 7352 | Cyclopentadiene dimer | Tricyclo[5.2.1.02,6]deca-3,8-diene | Dicyklopentadien

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Dicyclopentadiene(DCPD) is a dimer of cyclopentadiene composed of two unsaturated double bonds(one in the norbornene ring and one in the cyclopentene ring). DCPT is used inpolymers by itself and with other hydrocarbons. It is also employed in pharmaceuticals,elastomers, polycarbonates, and polyester resins.

Application:
Dicyclopentadiene may be used:
In the preparation of CF/p-DCPD ((carbon fiber/ poly-dicyclopentadiene) composites by VARTM (vacuum-assisted resin transfer molding) process.
In the preparation of η5-cyclopentadienyltris(dimethylamido)zirconium catalyst.
In the synthesis of cellulose – maleic anhydride– dicyclopentadiene copolymer matrix by free radical polymerization.

Specifications

Synonyms

Biscyclopentadiene | 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro- | 3a,4,7,7a-Tetrahydro-4,7-methanoindene | Bicyclopentadiene | CAS-77-73-6 | Dimer cyklopentadienu | NSC 7352 | Cyclopentadiene dimer | Tricyclo[5.2.1.02,6]deca-3,8-diene | Dicyklopentadien

Specifications & Purity

≥96%(GC), mixture of isomers

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥96%(GC)

Names and Identifiers

Pubchem Sid

508812275

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812275

Canonical Smiles

C1C=CC2C1C3CC2C=C3

IUPAC Name

tricyclo[5.2.1.02,6]deca-3,8-diene

InChIKey

HECLRDQVFMWTQS-UHFFFAOYSA-N

INCHI

1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2

Isomeric SMILES

C1C=CC2C1C3CC2C=C3

WGK Germany

2

RTECS

PC1050000

Alternate CAS

542-92-7

UN Number

2048

Packing Group

III

Molecular Weight

132.2

Beilstein

1904092

Reaxy-Rn

1904092

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904092&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: cyclic olefin

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

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.51-1.512
• Flash Point(°C): 44 °C
• Boil Point(°C): 170°C
• Melt Point(°C): 32 °C
• Molecular Weight: 132.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 132.094 Da
• Monoisotopic Mass: 132.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1