2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate

• ChemBase ID: 98356
• Molecular Formular: C12H7F15O2
• Molecular Mass: 468.158828
• Monoisotopic Mass: 468.02065276
• SMILES: O(C(=O)C(=C)C)CC(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3
• InChIKey: RUEKTOVLVIXOHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
• Synonyms: Methacrylic acid 1H,1H-perfluorooctyl ester; 1H,1H-Pentadecafluorooctyl methacrylate; 1H,1H-Perfluorooctyl methacrylate; 1H,1H-Perfluorooctyl methacrylate 97%; 1H,1H-全氟辛基甲基丙烯酸盐

Database IDs

• CAS Number: 3934-23-4
• EC Number: 223-509-1
• MDL Number: MFCD00039247
• Beilstein Number: 6445701
• PubChem SID: 162084794
• PubChem CID: 77532

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4666777
• LogD (pH = 7.4): 6.4666777
• Log P: 6.4666777
• Molar Refractivity: 59.8757 cm^3
• Polarizability: 23.013702 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 67-70°C/5mm; 70°C/1mm
• Flash Point: 96°C; 96°C(204°F)
• Density: 1.496
• Refractive Index: 1.337; 1.3370

Safety Information

• Storage Warning: Flammable/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC5398

Inhibited with 50ppm MEHQ