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cis-1,3-Dichloropropene - 97%, high purity , CAS No.10061-01-5
Basic Description
Synonyms
HSDB 1503 | EC 233-195-8 | Propene, 1,3-dichloro-, (Z)- | (Z)-1,3-dichloroprop-1-ene | 1,3-Dichloropropene, cis- | cis-3-Chloroallyl Chloride | (Z)-1,3-Dichloropropene | A800242 | cis-1,3-Dichloropropene, vial of 1 g, analytical standard | EINECS 233-195-
Specifications & Purity
≥97%
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 Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - 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
chloroalkene - 1,3-dichloropropene
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.
Names and Identifiers
Pubchem Sid
504763321
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763321
IUPAC Name
(Z)-1,3-dichloroprop-1-ene
INCHI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
InChIKey
UOORRWUZONOOLO-UPHRSURJSA-N
Smiles
C(C=CCl)Cl
Isomeric SMILES
C(/C=C\Cl)Cl
WGK Germany
3
RTECS
UC8325000
UN Number
2047
Packing Group
II
Molecular Weight
110.97
Beilstein
1(4)743
Reaxy-Rn
1719556
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719556&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.4675
Boil Point(°C)
104℃
Molecular Weight
110.970 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
109.969 Da
Monoisotopic Mass
109.969 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
31.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Citations of This Product
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2 Citations
H2303347