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α-Chlordane - analytical standard, high purity , CAS No.5103-71-9
Basic Description
Synonyms
NCGC00357099-01 | cis-Chlordane 100 microg/mL in Cyclohexane | DTXSID6038326 | (+)cis-chlordane | DTXCID00820189 | S6H | CAS-5103-71-9 | cis-Chlordane 10 microg/mL in Cyclohexane | ALPHA-CHLORDANE | BIDD:ER0129 | cis-Chlordane | cis-Chlordane 20 microg/mL
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
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 homopolycyclic compounds
Substituents
Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic 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
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.
Names and Identifiers
IUPAC Name
(1R,2S,3R,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
INCHI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
InChIKey
BIWJNBZANLAXMG-KMMBHOGFSA-N
Smiles
C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Isomeric SMILES
C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
WGK Germany
2
UN Number
2762(flammable solvent)2996
Packing Group
I
Molecular Weight
409.78
Beilstein
7079209
Reaxy-Rn
1915474
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915474&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
-18 °C
Flash Point(°C)
-18°C
Molecular Weight
409.800 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
409.792 Da
Monoisotopic Mass
405.798 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
459.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
6
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
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