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2,4'-DDT-[13C12]

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General Information
Catalog: BLP-008045
CAS: 1396995-26-8
Molecular Formula: C2[13C]12H9Cl5
Molecular Weight: 366.40

Chemical Structure

Description	2,4'-DDT-[13C12] is the labelled analogue of 2,4'-DDT. 2,4'-DDT is a chlorinated organic pesticide having estrogenic activity.
Synonyms	2,4'-DDT (ring-13C12); 2,4'-Dichlorodiphenyltrichloroethane-13C12; 1-Chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene-13C12; 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane-13C12; (±)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane-13C12; (±)-o,p'-DDT-13C12; 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane-13C12; 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane-13C12; o,p'-Chlorophenothane-13C12; o,p'-DDT-13C12; o,p'-Dichlorodiphenyltrichloroethane-13C12
IUPAC Name	1-chloro-4-[2,2,2-trichloro-1-(6-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	789-02-6 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
InChI	InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChI Key	CVUGPAFCQJIYDT-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Soluble in Chloroform; Slightly soluble in Ethyl Acetate
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere