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Heptachlor solution - 1000μg/ml in methanol, high purity , CAS No.76-44-8(methanol)
Basic Description
Synonyms
heptachlor | 76-44-8 | Heptachlorane | 3-Chlorochlordene | Heptamul | Agroceres | Heptagran | Rhodiachlor | Aahepta | Hepta | Velsicol heptachlor | GPKh | Technical heptachlor | Eptacloro | Heptachloor | Heptachlore | Heptox | Velsicol 104 | Arbinex 30TN | Rcra waste number P059 | NCI-C00180 | La
Specifications & Purity
1000μg/ml in methanol
Shipped In
Normal
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
Organochlorine pesticides - Organochlorine insecticides
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.
Associated Targets(Human)
Associated Targets(non-human)
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
1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
INCHI
InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
InChIKey
FRCCEHPWNOQAEU-UHFFFAOYSA-N
Smiles
C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
Isomeric SMILES
C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
WGK Germany
1
UN Number
1230
Packing Group
II
Molecular Weight
373.32
Reaxy-Rn
2058523
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058523&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
373.300 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
371.818 Da
Monoisotopic Mass
369.821 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
467.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
5
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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L1810136