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Polychloroprene - 85% trans, 10% cis, high purity , CAS No.9010-98-4
Basic Description
Synonyms
CHEBI:39481 | UN 1991 | 2-Cloro-1,3-butadiene [Italian] | CHLOROPRENE [IARC] | Chloroprene, uninhibited [Forbidden] | Cloroprene | Cloroprene [Italian] | 2-Chlorobutadiene | CHLOROPRENE [HSDB] | Chloroprene, inhibited | C19208 | Q410871 | Chloropreen [Dut
Specifications & Purity
85% trans, 10% cis
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Vinyl halides
Subclass
Vinyl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Vinyl chlorides
Alternative Parents
Chloroalkenes Organochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
External Descriptors
chloroolefin
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-chlorobuta-1,3-diene
INCHI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InChIKey
YACLQRRMGMJLJV-UHFFFAOYSA-N
Smiles
C=CC(=C)Cl
Isomeric SMILES
C=CC(=C)Cl
PubChem CID
31369
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
Tg−48℃
Molecular Weight
88.530 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
88.008 Da
Monoisotopic Mass
88.008 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
54.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations