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

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ChEBI Name	1,2,5,6,9,10-hexabromocyclododecane

ChEBI ID	CHEBI:134063

Definition	A bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Yvonne Bradford

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Formula

C12H18Br6

Net Charge

Average Mass

641.693

Monoisotopic Mass

635.65088

InChI

InChI=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

InChIKey

DEIGXXQKDWULML-UHFFFAOYSA-N

SMILES

C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br

Roles Classification
Chemical Role(s):	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. (via brominated flame retardant )

Biological Role(s):	neurotoxin A poison that interferes with the functions of the nervous system. 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.

Application(s):	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. (via brominated flame retardant )

ChEBI Ontology
Outgoing	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

Last Modified

06 May 2021