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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:83540 - bisperfluorodecyl phosphate
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ChEBI Name
bisperfluorodecyl phosphate
ChEBI ID
CHEBI:83540
Definition
A dialkyl phosphate in which the alkyl group specified is perfluorodecyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C20H9F34O4P
Net Charge
0
Average Mass
990.20250
Monoisotopic Mass
989.96955
InChI
InChI=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)
InChIKey
AFWOYEYXUDHGHF-UHFFFAOYSA-N
SMILES
OP(=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
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
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 Numbers
Types
Sources
11121026
Reaxys Registry Number
Reaxys
678-41-1
CAS Registry Number
ChemIDplus
Last Modified
19 November 2014