1.0 2018-10-03 16:32:28 UTC 2020-06-04 18:57:12 UTC BMDB0063601 BMDB63601 Aldrin Aldrin is an organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. It has a role as a persistent organic pollutant and a proinsecticide. It is an organochlorine insecticide and an organochlorine compound. (1alpha,4alpha,4Abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene Aldrine Compound 118 HHDN (1a,4a,4Abeta,5a,8a,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene (1Α,4α,4abeta,5α,8α,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene Isodrin C12H8Cl6 364.9 361.8757165 (1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1^{3,6}.0^{2,7}]dodeca-4,9-diene (1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1^{3,6}.0^{2,7}]dodeca-4,9-diene 309-00-2 [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- QBYJBZPUGVGKQQ-SJJAEHHWSA-N 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. Organic compounds Organohalogen compounds Vinyl halides Vinyl chlorides Vinyl chlorides Alkyl chlorides Chloroalkenes Hydrocarbon derivatives Organochlorides Aliphatic homopolycyclic compound Alkyl chloride Alkyl halide Chloroalkene Haloalkene Hydrocarbon derivative Organochloride Vinyl chloride Aliphatic homopolycyclic compounds organochlorine compound organochlorine insecticide logp 5.90 ALOGPS logs -6.65 ALOGPS logp 4.73 ChemAxon iupac (1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1^{3,6}.0^{2,7}]dodeca-4,9-diene ChemAxon average_mass 364.9 ChemAxon mono_mass 361.8757165 ChemAxon smiles [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ChemAxon formula C12H8Cl6 ChemAxon inchi InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- ChemAxon inchikey QBYJBZPUGVGKQQ-SJJAEHHWSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 79.76 ChemAxon polarizability 30.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1267177 Specdb::MsMs 1267178 Specdb::MsMs 1267179 Specdb::MsMs 1382227 Specdb::MsMs 1382228 Specdb::MsMs 1382229 Milk 0.00987 +/- 0.0397 uM Raw bovine milk from Haryana (n=147) Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431 12310947 2564 Aldrin Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431