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Perfluorodecylphosphonic Acid

CAT: 0572-TRC-P270625-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P270625-100MGSize:100 mg
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CAS Number
52299-26-0
Synonyms
PFDPA; Phosphonic acid, P-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluorodecyl)-; Phosphonic acid, (heneicosafluorodecyl)- (9CI); P-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluorodecyl)phosphonic acid; (Perfluorodecyl)phosphonic acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OP(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C10 H2 F21 O3 P
Molecular Weight
600.06
InChI
InChI=1S/C10H2F21O3P/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H2,32,33,34)
Additionnal Information
IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylphosphonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Perfluorodecylphosphonic acid
CAS Number52299-26-0
PubChem CID85828788
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylphosphonic acid
Molecular FormulaC10H2F21O3P
Molecular Weight600.06
XLogP5.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity850
SMILES
C(C(C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H2F21O3P/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H2,32,33,34)
InChIKey
CTGNCBOZEMOASL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorodecylphosphonic acid
CAS: 52299-26-0
CID: 85828788
Formula: C10H2F21O3P
MW: 600.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.06
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count9
Exact Mass599.9406223
Monoisotopic Mass599.9406223
Topological Polar Surface Area57.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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