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CHEBI:83540 - bisperfluorodecyl phosphate

ChEBI IDCHEBI:83540
ChEBI Namebisperfluorodecyl phosphate
Stars
DefinitionA dialkyl phosphate in which the alkyl group specified is perfluorodecyl.
Last Modified19 November 2014
DownloadsMolfile
FormulaC20H9F34O4P
Net Charge0
Average Mass990.194
Monoisotopic Mass989.96955
SMILESO=P(O)(OCCC(F)(F)C(F)(F)C(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)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
InChIKeyAFWOYEYXUDHGHF-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)
bisperfluorodecyl phosphate (CHEBI:83540) has role environmental contaminant (CHEBI:78298)
bisperfluorodecyl phosphate (CHEBI:83540) has role xenobiotic (CHEBI:35703)
bisperfluorodecyl phosphate (CHEBI:83540) is a dialkyl phosphate (CHEBI:16648)
bisperfluorodecyl phosphate (CHEBI:83540) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate
Registry NumbersSources
Reaxys:11121026Reaxys
CAS:678-41-1ChemIDplus