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41123-44-8 molecular structure
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate

ChemBase ID: 12116
Molecular Formular: C15H8F20O2
Molecular Mass: 600.190884
Monoisotopic Mass: 600.0204939
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
O=C(C(=C)C)OCC(C(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)F)(F)F
InChI:
InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
InChIKey:
PUCOLQDJAFBFDR-UHFFFAOYSA-N

Cite this record

CBID:12116 http://www.chembase.cn/molecule-12116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
IUPAC Traditional name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
Synonyms
1H,1H,11H-Perfluoroundecyl methacrylate
1H,1H,11H-Eicosafluoroundecyl methacrylate
Methacrylic acid 1H,1H,11H-perfluoroundecyl ester
1H,1H,11H-Perfluoroundecyl methacrylate
1H,1H,11H-Perfluoroundecyl methacrylate 95%
1H,1H,11H-全氟十一烷基甲基丙烯酸盐
CAS Number
41123-44-8
EC Number
255-230-6
MDL Number
MFCD00042111
PubChem SID
160975423
PubChem CID
2776421

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776421 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.78678  H Acceptors
H Donor LogD (pH = 5.5) 8.079845 
LogD (pH = 7.4) 8.079845  Log P 8.079845 
Molar Refractivity 72.99 cm3 Polarizability 28.556044 Å3
Polar Surface Area 26.3 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
36-38°C expand Show data source
36-38°C expand Show data source
Boiling Point
110°C/0.05mm expand Show data source
110°C/0.05mm expand Show data source
Storage Warning
Flammable/Keep Cold expand Show data source
IRRITANT, KEEP COLD expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC3156 external link
Inhibited with 50ppm MEHQ

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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