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1262446-13-8 molecular structure
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potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl sulfate

ChemBase ID: 174762
Molecular Formular: C10H4F17KO4S
Molecular Mass: 582.2725144
Monoisotopic Mass: 581.91959103
SMILES and InChIs

SMILES:
O(CCC(C(C(C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)[O-].[K+]
Canonical SMILES:
[O-]S(=O)(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+]
InChI:
InChI=1S/C10H5F17O4S.K/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;/h1-2H2,(H,28,29,30);/q;+1/p-1
InChIKey:
CVPBVWATOIWJSM-UHFFFAOYSA-M

Cite this record

CBID:174762 http://www.chembase.cn/molecule-174762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl sulfate
IUPAC Traditional name
potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl sulfate
Synonyms
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol 1-(Hydrogen Sulfate) Potassium Salt
8:2 FTOH Sulfate Potassium Salt
Mono[2-(perfluorooctyl)ethyl] Sulfate Potassium Salt
CAS Number
1262446-13-8
PubChem SID
164230672
PubChem CID
71750813

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M566825 external link Add to cart
PubChem 71750813 external link
Data Source Data ID Price
TRC
M566825 external link Add to cart Please log in.
Data Source Data ID
PubChem 71750813 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.1906195  H Acceptors
H Donor LogD (pH = 5.5) 3.2899084 
LogD (pH = 7.4) 3.2899082  Log P 5.666307 
Molar Refractivity 59.7093 cm3 Polarizability 24.818745 Å3
Polar Surface Area 66.43 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
>300°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M566825 external link
Mono[2-(perfluorooctyl)ethyl] Sulfate is the sulfate conjugate of 8-2 Fluorotelomer Alcohol, a raw material used in the manufacturing of fluorotelomer-based products.

REFERENCES

REFERENCES

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  • • Paterova, J. et al.: J. Fluor. Chem., 131, 1338 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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