CHEBI:28428 - β-hexachlorocyclohexane

ChEBI IDCHEBI:28428
ChEBI Nameβ-hexachlorocyclohexane
Stars
ASCII Namebeta-hexachlorocyclohexane
DefinitionThe β-isomer of hexachlorocyclohexane.
Secondary ChEBI IDsCHEBI:3071, CHEBI:22757
Last Modified12 October 2020
DownloadsMolfile
FormulaC6H6Cl6
Net Charge0
Average Mass290.832
Monoisotopic Mass287.86007
SMILESCl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
InChIInChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
InChIKeyJLYXXMFPNIAWKQ-CDRYSYESSA-N
Roles Classification
Chemical Role:
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Application:
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
β-hexachlorocyclohexane (CHEBI:28428) has role persistent organic pollutant (CHEBI:77853)
β-hexachlorocyclohexane (CHEBI:28428) is a hexachlorocyclohexane (CHEBI:24536)
β-hexachlorocyclohexane (CHEBI:28428) is a organochlorine pesticide (CHEBI:38656)
IUPAC Name 
(1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane
Synonyms  Source
(1α,2β,3α,4β,5α,6β)-1,2,3,4,5,6-hexachlorocyclohexaneNIST Chemistry WebBook
trans-1,2,3,4,5,6-hexachlorocyclohexaneNIST Chemistry WebBook
β-HCHNIST Chemistry WebBook
β-lindaneNIST Chemistry WebBook
β-1,2,3,4,5,6-hexachlorocyclohexaneNIST Chemistry WebBook
β-BHCNIST Chemistry WebBook
Manual XrefsDatabases
C06988KEGG COMPOUND
C06988KEGG COMPOUND
c0139UM-BBD
Registry NumbersSources
Reaxys:1907338Reaxys
CAS:319-85-7KEGG COMPOUND
CAS:319-85-7ChemIDplus
CAS:319-85-7NIST Chemistry WebBook
Citations