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1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane - >98.0%(GC), high purity , CAS No.72-54-8
Basic Description
Synonyms
TDE | 1,1-DICHLORO-2,2-BIS(P-CHLOROPHENYL)ETHANE [MI] | 1,2-bis(4-cloro-fenil)-etano | 1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano [Italian] | RCRA waste no. U060 | SMR001253876 | 1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan [Dutch] | BS-44181 | CAS-72-54-8 |
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors
Organochlorine pesticides
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
Pubchem Sid
488180043
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180043
IUPAC Name
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
INCHI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKey
AHJKRLASYNVKDZ-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
Isomeric SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
WGK Germany
3
RTECS
KI0700000
UN Number
2761
Packing Group
I
Molecular Weight
320.04
Beilstein
1914072
Reaxy-Rn
1914072
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914072&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water
Melt Point(°C)
109-111°C
Molecular Weight
320.000 g/mol
XLogP3
6.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
319.951 Da
Monoisotopic Mass
317.954 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
218.000
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
Citations of This Product
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7 Citations
A2329677