2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate

• ChemBase ID: 142207
• Molecular Formular: C22H14F17NO5
• Molecular Mass: 695.3231144
• Monoisotopic Mass: 695.06005229
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)OCc1ccc(cc1)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/C22H14F17NO5/c23-15(24,8-7-10-1-3-11(4-2-10)9-44-14(43)45-40-12(41)5-6-13(40)42)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h1-4H,5-9H2
• InChIKey: DLEHONFUGNNFOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate
• Synonyms: N-[4-(1H,1H,2H,2H-Perfluorodecyl)benzyloxycarbonyloxy]succinimide; N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl) benzyloxycarbonyloxy]succinimide; N-[4-(1H,1H,2H,2H-全氟癸基)苄氧基羰基氧]琥珀酰亚胺; N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苄氧基羰基氧]琥珀酰亚胺

Database IDs

• CAS Number: 556050-49-8
• MDL Number: MFCD04973831
• PubChem SID: 162236437; 24848952
• PubChem CID: 11083007

CALCULATED PROPERTIES

• Acid pKa: 17.634148
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.77688
• LogD (pH = 7.4): 7.77688
• Log P: 7.77688
• Molar Refractivity: 107.5498 cm^3
• Polarizability: 40.669754 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (NMR)
• Empirical Formula (Hill Notation): C22H14F17NO5

DETAILS

Sigma Aldrich - 14944

Packaging
1, 5 g 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.