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

• ChemBase ID: 9756
• Molecular Formular: C11H5F15O2
• Molecular Mass: 454.132248
• Monoisotopic Mass: 454.0050027
• SMILES: O=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
• Canonical SMILES: C=CC(=O)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/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
• InChIKey: YSQGYEYXKXGAQA-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 prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate
• Synonyms: 1H,1H-Pentadecafluorooctyl acrylate; 1,1-Dyhydroperfluorooctyl acrylate; 1H,1H-Perfluorooctyl acrylate 97%; Acrylic acid 1H,1H-perfluorooctyl ester; 1H,1H-Pentadecafluorooctyl acrylate; 1H,1H-Perfluorooctyl acrylate; 1H,1H-全氟辛基丙烯酸酯

Database IDs

• CAS Number: 307-98-2
• EC Number: 206-212-1
• MDL Number: MFCD00039248
• Beilstein Number: 1809801
• PubChem SID: 160973063
• PubChem CID: 67551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0711274
• LogD (pH = 7.4): 6.0711274
• Log P: 6.0711274
• Molar Refractivity: 55.5186 cm^3
• Polarizability: 21.390066 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 112-115°C/60mm; 65°C/5mm
• Flash Point: 91°C; 91°C(195°F)
• Density: 1.403
• Refractive Index: 1.325; 1.3275; 1.3279

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, LACHRYMATOR; Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 97%, stab. with 50ppm 4-methoxyphenol

DETAILS

Apollo Scientific Ltd - PC5394

Inhibited with 50ppm MEHQ