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

• ChemBase ID: 7253
• Molecular Formular: C14H9F17O2
• Molecular Mass: 532.1929144
• Monoisotopic Mass: 532.03310927
• SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(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/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3
• InChIKey: HBZFBSFGXQBQTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate
• Synonyms: HDFDMA; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl methacrylate; 1H,1H,2H,2H-Heptadecafluorodecyl methacrylate; 2-(Perfluorooctyl)ethyl methacrylate; 1H,1H,2H,2H-Perfluorodecyl methacrylate; 2-(全氟辛基)乙基甲基丙烯酸酯

Database IDs

• CAS Number: 1996-88-9
• EC Number: 217-877-2
• MDL Number: MFCD00042307
• PubChem SID: 24870971; 160970560
• PubChem CID: 160606

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4376235
• LogD (pH = 7.4): 7.4376235
• Log P: 7.4376235
• Molar Refractivity: 68.9955 cm^3
• Polarizability: 26.5368 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 110 °C/4 mmHg(lit.); 120°C/4mm
• Flash Point: 113 °C; 113°C; 235.4 °F
• Density: 1.59; 1.590; 1.596 g/mL at 25 °C(lit.)
• Refractive Index: 1.343; n20/D 1.343(lit.)

Safety Information

• Storage Warning: Flammable/Keep Cold; IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34-42/43
• Safety Statements: 26-27-36/37/39-45
• TSCA Listed: true
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%
• Contains: 100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2(CF2)7CF3

DETAILS

Sigma Aldrich - 474223

Packaging
25 mL in poly bottle