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852527-40-3 molecular structure
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1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 140563
Molecular Formular: C15H8F17NO2
Molecular Mass: 557.2023744
Monoisotopic Mass: 557.02835824
SMILES and InChIs

SMILES:
C1=CC(=O)N(C1=O)CCCC(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=C1C=CC(=O)N1CCCC(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/C15H8F17NO2/c16-8(17,4-1-5-33-6(34)2-3-7(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1,4-5H2
InChIKey:
QGVHMBIQPGFCFW-UHFFFAOYSA-N

Cite this record

CBID:140563 http://www.chembase.cn/molecule-140563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
Synonyms
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-1H-pyrrole-2,5
3-(Perfluorooctyl)propyl-1-maleimide
F17 Maleinimide
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)maleimide
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基)-1H-吡咯-2,5
3-(全氟辛基)丙基-1-马来酰亚胺
F17 顺丁烯二酰亚胺
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基)马来酰亚胺
CAS Number
852527-40-3
MDL Number
MFCD09265195
PubChem SID
162234807
24865604
PubChem CID
11157197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
40889 external link Add to cart Please log in.
Data Source Data ID
PubChem 11157197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.7959895  LogD (pH = 7.4) 5.7959895 
Log P 5.7959895  Molar Refractivity 75.9946 cm3
Polarizability 28.200169 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
101-105 °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
2-8°C expand Show data source
Purity
≥95% expand Show data source
Empirical Formula (Hill Notation)
C15H8F17NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 40889 external link
Packaging
5, 25 mg in glass 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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