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852527-45-8 molecular structure
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2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate

ChemBase ID: 140560
Molecular Formular: C15H8F17NO4
Molecular Mass: 589.2011744
Monoisotopic Mass: 589.01818748
SMILES and InChIs

SMILES:
C1CC(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
O=C(ON1C(=O)CCC1=O)CCC(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/C15H8F17NO4/c16-8(17,4-3-7(36)37-33-5(34)1-2-6(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H2
InChIKey:
PFSIGNUPTCQGSG-UHFFFAOYSA-N

Cite this record

CBID:140560 http://www.chembase.cn/molecule-140560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
IUPAC Traditional name
2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
Synonyms
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluor-undecansäure-N-succinimidylester
N-Succinimidyl 2H,2H,3H,3H-perfluoroundecanoate
N-Succinimidyl 3-(perfluorooctyl)propionate
N-Succinimidyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
N-琥珀酰亚胺基 2H,2H,3H,3H-全氟十一酸酯
N-琥珀酰亚胺基 3-(全氟辛基)丙酸酯
N-琥珀酰亚胺基 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一酸酯
CAS Number
852527-45-8
MDL Number
MFCD09265206
PubChem SID
24886467
162234804
PubChem CID
11261812

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
73028 external link Add to cart Please log in.
Data Source Data ID
PubChem 11261812 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.706703  H Acceptors
H Donor LogD (pH = 5.5) 5.1756616 
LogD (pH = 7.4) 5.1756616  Log P 5.1756616 
Molar Refractivity 76.2983 cm3 Polarizability 29.597832 Å3
Polar Surface Area 63.68 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
140-146 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
Empirical Formula (Hill Notation)
C15H8F17NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 73028 external link
Packaging
5, 25 mg in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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