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CHEBI:83539 - bisperfluorooctyl phosphate
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ChEBI Name
bisperfluorooctyl phosphate
ChEBI ID
CHEBI:83539
Definition
A dialkyl phosphate in which the alkyl group specified is perfluorooctyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C16H9F26O4P
Net Charge
0
Average Mass
790.17250
Monoisotopic Mass
789.98233
InChI
InChI=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)
InChIKey
ZDYYWMSLMLTXDM-UHFFFAOYSA-N
SMILES
OP(=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
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role
(s):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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 Numbers
Types
Sources
10634221
Reaxys Registry Number
Reaxys
57677-95-9
CAS Registry Number
ChemIDplus
Last Modified
19 November 2014