1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 140562
• Molecular Formular: C13H8F13NO2
• Molecular Mass: 457.1873616
• Monoisotopic Mass: 457.03474536
• SMILES: C1=CC(=O)N(C1=O)CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCCN1C(=O)C=CC1=O)F
• InChI: InChI=1S/C13H8F13NO2/c14-8(15,4-1-5-27-6(28)2-3-7(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-3H,1,4-5H2
• InChIKey: XCBJTYHAGWXMIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)pyrrole-2,5-dione
• Synonyms: 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)-1H-pyrrole-2,5-dione; 3-(Perfluorohexyl)propyl-1-maleimide; F13 Maleimide; N-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)maleimide; 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基)-1H-吡咯-2,5-二酮; 3-(全氟己基)丙基-1-马来酰亚胺; F13 马来酰亚胺; N-(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基)马来酰亚胺

Database IDs

• CAS Number: 852527-41-4
• MDL Number: MFCD10000868
• PubChem SID: 162234806
• PubChem CID: 11294045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.394704
• LogD (pH = 7.4): 4.394704
• Log P: 4.394704
• Molar Refractivity: 66.6586 cm^3
• Polarizability: 24.448273 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-78 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C13H8F13NO2

DETAILS

Sigma Aldrich - 19425

Packaging
5 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.