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27905-45-9 molecular structure
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3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate

ChemBase ID: 7254
Molecular Formular: C13H7F17O2
Molecular Mass: 518.1663344
Monoisotopic Mass: 518.0174592
SMILES and InChIs

SMILES:
FC(C(C(C(C(C(C(C(CCOC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
C=CC(=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
InChI:
InChI=1S/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2
InChIKey:
QUKRIOLKOHUUBM-UHFFFAOYSA-N

Cite this record

CBID:7254 http://www.chembase.cn/molecule-7254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate
IUPAC Traditional name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate
Synonyms
Acrylic acid 1H,1H,2H,2H-perfluorodecyl ester
1H,1H,2H,2H-Heptadecafluorodecyl acrylate
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate
1H,1H,2H,2H-Heptadecafluorodecyl acrylate
1H,1H,2H,2H-Perfluorodecyl acrylate
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate
1H,1H,2H,2H-Perfluorodecyl acrylate
1H,1H,2H,2H-全氟癸基 丙烯酸酯
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯
1H,1H,2H,2H-十七氟癸烷丙烯酰酯
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯
1H,1H,2H,2H-全氟癸基丙烯酸酯
CAS Number
27905-45-9
EC Number
248-722-7
MDL Number
MFCD00042306
Beilstein Number
5173337
PubChem SID
24890161
160970561
24871014
PubChem CID
119747

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.0420732  LogD (pH = 7.4) 7.0420732 
Log P 7.0420732  Molar Refractivity 64.6384 cm3
Polarizability 24.906982 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-3°C expand Show data source
Boiling Point
89-90°C/4mm expand Show data source
90 °C/4 mmHg(lit.) expand Show data source
90°C/4mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.596 expand Show data source
1.637 expand Show data source
1.637 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3370 expand Show data source
n20/D 1.337 expand Show data source
n20/D 1.337(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
true 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
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90.0% (GC) expand Show data source
96%, stab. with 100ppm 4-methoxyphenol expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Contains
100 ppm tert-butylcatechol as inhibitor expand Show data source
Linear Formula
H2C=CHCO2CH2CH2(CF2)7CF3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 474487 external link
Packaging
5, 25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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