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CHEBI:83539 - bisperfluorooctyl phosphate

ChEBI IDCHEBI:83539
ChEBI Namebisperfluorooctyl phosphate
Stars
DefinitionA dialkyl phosphate in which the alkyl group specified is perfluorooctyl.
Last Modified19 November 2014
DownloadsMolfile
FormulaC16H9F26O4P
Net Charge0
Average Mass790.166
Monoisotopic Mass789.98233
SMILESO=P(O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)
InChIKeyZDYYWMSLMLTXDM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
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)
bisperfluorooctyl phosphate (CHEBI:83539) has role environmental contaminant (CHEBI:78298)
bisperfluorooctyl phosphate (CHEBI:83539) has role xenobiotic (CHEBI:35703)
bisperfluorooctyl phosphate (CHEBI:83539) is a dialkyl phosphate (CHEBI:16648)
bisperfluorooctyl phosphate (CHEBI:83539) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate
Registry NumbersSources
Reaxys:10634221Reaxys
CAS:57677-95-9ChemIDplus