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4151-50-2 molecular structure
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N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

ChemBase ID: 96633
Molecular Formular: C10H6F17NO2S
Molecular Mass: 527.1979944
Monoisotopic Mass: 526.98477918
SMILES and InChIs

SMILES:
S(=O)(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCC
Canonical SMILES:
CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
InChIKey:
CCEKAJIANROZEO-UHFFFAOYSA-N

Cite this record

CBID:96633 http://www.chembase.cn/molecule-96633.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
IUPAC Traditional name
sulfluramid
Synonyms
N-Ethyl perfluorooctylsulphonamide 96%
N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
AI 3-29757
Alstar
FX 12
FiniTron
GX 071
Mirex S
N-Ethylperfluorooctanesulfonamide
N-Ethylperfluorooctylsulfonamide
Volcano
Sulfluramid
CAS Number
4151-50-2
MDL Number
MFCD00042274
PubChem SID
162083282
PubChem CID
77797

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 77797 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.64476  H Acceptors
H Donor LogD (pH = 5.5) 4.5366116 
LogD (pH = 7.4) 4.493084  Log P 5.435436 
Molar Refractivity 62.1596 cm3 Polarizability 24.583273 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
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
Tan to Yellow Solid expand Show data source
Melting Point
80-82°C expand Show data source
80-90°C expand Show data source
Boiling Point
110°C/2mm expand Show data source
Density
1.62 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific TRC TRC
Apollo Scientific Ltd - PC3257 external link
Intermediate for water and oil repellant additives.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Genualdi, S., et al.: Environ. Sci. Technol., 44, 5534 (2010)
  • • Bhhatarai, B., et al.: Chem. Res. Toxicol., 23, 528 (2010)
  • • Liu, B., et al.: J. Agric. Food Chem., 58, 2673 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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