2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate

• ChemBase ID: 12116
• Molecular Formular: C15H8F20O2
• Molecular Mass: 600.190884
• Monoisotopic Mass: 600.0204939
• SMILES: C(C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
• InChIKey: PUCOLQDJAFBFDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
• Synonyms: 1H,1H,11H-Perfluoroundecyl methacrylate; 1H,1H,11H-Eicosafluoroundecyl methacrylate; Methacrylic acid 1H,1H,11H-perfluoroundecyl ester; 1H,1H,11H-Perfluoroundecyl methacrylate; 1H,1H,11H-Perfluoroundecyl methacrylate 95%; 1H,1H,11H-全氟十一烷基甲基丙烯酸盐

Database IDs

• CAS Number: 41123-44-8
• EC Number: 255-230-6
• MDL Number: MFCD00042111
• PubChem SID: 160975423
• PubChem CID: 2776421

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.079845
• LogD (pH = 7.4): 8.079845
• Log P: 8.079845
• Molar Refractivity: 72.99 cm^3
• Polarizability: 28.556044 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 36-38°C; 36-38°C
• Boiling Point: 110°C/0.05mm; 110°C/0.05mm

Safety Information

• Storage Warning: Flammable/Keep Cold; IRRITANT, KEEP COLD
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%

DETAILS

Apollo Scientific Ltd - PC3156

Inhibited with 50ppm MEHQ