1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate

• ChemBase ID: 6511
• Molecular Formular: C7H6F6O2
• Molecular Mass: 236.1117592
• Monoisotopic Mass: 236.02719875
• SMILES: O(C(C(F)(F)F)C(F)(F)F)C(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3
• InChIKey: FMQPBWHSNCRVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate
• Synonyms: 1,1,1,3,3,3-Hexafluoroisopropyl methacrylate; HFiPMA; 1,1,1,3,3,3-Hexafluoroisopropyl methacrylate; 1,1,1,3,3,3-Hexafluoroprop-2-yl 2-methylprop-2-enoate; 2H-Perfluoroprop-2-yl methacrylate 99%; 1,1,1,3,3,3-Hexafluoro-2-propyl methacrylate; Methacrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester; 1,1,1,3,3,3-六氟异丙基异丁烯酸酯

Database IDs

• CAS Number: 3063-94-3
• EC Number: 221-309-9
• MDL Number: MFCD00040105
• PubChem SID: 160969818; 24862785
• PubChem CID: 76469

CALCULATED PROPERTIES

• Acid pKa: 15.017227
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2776847
• LogD (pH = 7.4): 3.2776847
• Log P: 3.2776847
• Molar Refractivity: 36.988 cm^3
• Polarizability: 13.767909 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 99°C; 99°C
• Flash Point: 14 °C; 14°C; 14°C(57°F); 57.2 °F
• Density: 1.302; 1.302 g/mL at 25 °C(lit.)
• Refractive Index: 1.331; 1.3310; n20/D 1.331(lit.)
• Vapor Pressure: 0.71 psi ( 20 °C)

Safety Information

• Storage Warning: Highly Flammable/Harmful; IRRITANT, KEEP COLD
• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 3272; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-36/37/38; 11-36/37/38
• Safety Statements: 16-26-33-36; 7-26-33-37-43-60
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H315-H319-H335; H225-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 2

Product Information

• Purity: 99%; 99%, stab.
• Linear Formula: H2C=C(CH3)CO2CH(CF3)2

DETAILS

Apollo Scientific Ltd - PC4756

Affords low refractive index polymer.. Inhibited with 100-200 ppm MEHQ

Sigma Aldrich - 367664

Packaging
5 g in glass bottle