1.0 2018-10-03 16:32:33 UTC 2020-06-04 18:57:10 UTC BMDB0063602 BMDB63602 alpha-Hexachlorocyclohexane(HCH) α-Hexachlorocyclohexane (α-HCH) is an organochloride which is one of the isomers of hexachlorocyclohexane (HCH). It is a byproduct of the production of the insecticide lindane (γ-HCH) and it is typically still contained in commercial grade lindane used as insecticide. Lindane, however, has not been produced or used in the United States for more than 20 years. At ambient temperatures it is a stable, white, powdery solid substance. As of 2009, the Stockholm Convention on Persistent Organic Pollutants classified (α-HCH) and (β-HCH) as persistent organic pollutants (POPs), due to the chemical's ability to persistence in the environment, bioaccumulative, biomagnifying, and long-range transport capacity. alpha-HCH 1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane alpha-Lindane a-HCH Α-HCH 1a,2a,3b,4a,5b,6b-Hexachlorocyclohexane 1Α,2α,3β,4α,5β,6β-hexachlorocyclohexane a-Lindane Α-lindane a-Hexachlorocyclohexane Α-hexachlorocyclohexane a-Hexachlorocyclohexane(HCH) Α-hexachlorocyclohexane(HCH) C6H6Cl6 290.81 287.8600664 (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane α-hexachlorocyclohexane 319-84-6 [H][C@]1(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]1([H])Cl InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1 JLYXXMFPNIAWKQ-LKPKBOIGSA-N belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom. Organic compounds Organohalogen compounds Alkyl halides Cyclohexyl halides Cyclohexyl halides Alkyl chlorides Hydrocarbon derivatives Organochlorides Aliphatic homomonocyclic compound Alkyl chloride Cyclohexyl halide Hydrocarbon derivative Organochloride Aliphatic homomonocyclic compounds Organochlorine pesticides logp 3.94 ALOGPS logs -4.73 ALOGPS logp 4.35 ChemAxon iupac (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane ChemAxon average_mass 290.81 ChemAxon mono_mass 287.8600664 ChemAxon smiles [H][C@]1(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]1([H])Cl ChemAxon formula C6H6Cl6 ChemAxon inchi InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1 ChemAxon inchikey JLYXXMFPNIAWKQ-LKPKBOIGSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 54.08 ChemAxon polarizability 22.97 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 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1313761 Specdb::MsMs 1313762 Specdb::MsMs 1313763 Specdb::MsMs 1428238 Specdb::MsMs 1428239 Specdb::MsMs 1428240 Milk 0.0199 +/- 0.0554 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 16740741 C15214 C00061403 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