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1，4-Dichloronaphthalene - analytical standard, ≥99%, high purity , CAS No.1825-31-6
Basic Description
Specifications & Purity
analytical standard, ≥99%
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Chloronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Chloronaphthalenes
Alternative Parents
Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Chloronaphthalene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine 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.
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
1,4-dichloronaphthalene
INCHI
InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
JDPKCYMVSKDOGS-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=CC=C2Cl)Cl
Isomeric SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)Cl
PubChem CID
15769
Molecular Weight
197.06
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.060 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
195.985 Da
Monoisotopic Mass
195.985 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
140.000
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
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