CHEBI:134063 - 1,2,5,6,9,10-hexabromocyclododecane

ChEBI IDCHEBI:134063
ChEBI Name1,2,5,6,9,10-hexabromocyclododecane
Stars
DefinitionA bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10.
Last Modified6 May 2021
Submitterybradford
DownloadsMolfile
FormulaC12H18Br6
Net Charge0
Average Mass641.700
Monoisotopic Mass635.65087
SMILESBrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
InChIInChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
InChIKeyDEIGXXQKDWULML-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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.
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.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
neurotoxin  A poison that interferes with the functions of the nervous system.
Application:
flame retardant  Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire.
ChEBI Ontology
Outgoing Relation(s)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) has role neurotoxin (CHEBI:50910)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) has role persistent organic pollutant (CHEBI:77853)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) has role xenobiotic (CHEBI:35703)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) is a brominated flame retardant (CHEBI:172368)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) is a bromoalkane (CHEBI:22929)
1,2,5,6,9,10-hexabromocyclododecane (CHEBI:134063) is a bromohydrocarbon (CHEBI:22926)
IUPAC Name 
1,2,5,6,9,10-hexabromocyclododecane
Synonyms  Source
HBCDSUBMITTER
Cyclododecane, 1,2,5,6,9,10-hexabromo-SUBMITTER
HexabromocyclododecaneSUBMITTER
Manual XrefsDatabases
HexabromocyclododecaneWikipedia
Registry NumbersSources
Reaxys:1911324Reaxys
CAS:3194-55-6ChemIDplus
Citations