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CHEBI:77565 - 2,3,7,8-tetrabromodibenzodioxine

ChEBI IDCHEBI:77565
ChEBI Name2,3,7,8-tetrabromodibenzodioxine
Stars
DefinitionAn organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.
Last Modified4 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H4Br4O2
Net Charge0
Average Mass499.778
Monoisotopic Mass495.69448
SMILESBrc1cc2c(cc1Br)Oc1cc(Br)c(Br)cc1O2
InChIInChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
InChIKeyJZLQUWSWOJPCAK-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
2,3,7,8-tetrabromodibenzodioxine (CHEBI:77565) is a dibenzodioxine (CHEBI:23825)
2,3,7,8-tetrabromodibenzodioxine (CHEBI:77565) is a organobromine compound (CHEBI:37141)
IUPAC Name 
2,3,7,8-tetrabromooxanthrene
Synonyms  Source
2,3,7,8-TetrabromodibenzodioxinChemIDplus
2,3,7,8-Tetrabromodibenzo-4-dioxinChemIDplus
2,3,7,8-Tetrabromodibenzo-p-dioxinChemIDplus
2,3,7,8-TBDDChEBI
Registry NumbersSources
Reaxys:273317Reaxys
CAS:50585-41-6ChemIDplus
Citations