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Chlorobenzilate Standard - 1000ug/ml in Purge and Trap Methanol, high purity , CAS No.510-15-6
Basic Description
Synonyms
CHLOROBENZILATE | 510-15-6 | Ethyl 4,4'-dichlorobenzilate | Chlorbenzilat | Chlorbenzylate | Chlorobenzylate | Acaraben | Folbex | Akar | Benzilan | Acar | Kop-Mite | Chlorbenzilate | Compound 338 | Benz-O-chlor | Geigy 338 | Acaraben 4E | Akar 338 | Folbex smoke-strips | Ethyl p,p'-dichlorob
Specifications & Purity
1000ug/ml in Purge and Trap Methanol
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Pesticides Single Component Standards
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 Tertiary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylmethane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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
Acaricides
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.
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
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
INCHI
InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
InChIKey
RAPBNVDSDCTNRC-UHFFFAOYSA-N
Smiles
CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
Isomeric SMILES
CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
WGK Germany
3
RTECS
DD2275000
Molecular Weight
325.19
Reaxy-Rn
2755859
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2755859&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
325.200 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
324.032 Da
Monoisotopic Mass
324.032 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
323.000
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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E1522066