2,2,3,3-tetrafluoropropyl prop-2-enoate

• ChemBase ID: 8061
• Molecular Formular: C6H6F4O2
• Molecular Mass: 186.1042528
• Monoisotopic Mass: 186.03039231
• SMILES: O(C(=O)C=C)CC(F)(F)C(F)F
• Canonical SMILES: C=CC(=O)OCC(C(F)F)(F)F
• InChI: InChI=1S/C6H6F4O2/c1-2-4(11)12-3-6(9,10)5(7)8/h2,5H,1,3H2
• InChIKey: VHJHZYSXJKREEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropyl prop-2-enoate
• Synonyms: 2,2,3,3-Tetrafluoroprop-1-yl prop-2-enoate; 2,2,3,3-Tetrafluoroprop-1-yl acrylate 97%; 2,2,3,3-Tetrafluoropropyl acrylate; 2,2,3,3-Tetrafluoropropyl acrylate; 2,2,3,3-四氟丙基丙烯酸酯

Database IDs

• CAS Number: 7383-71-3
• EC Number: 230-957-1
• MDL Number: MFCD00042380
• PubChem SID: 160971368; 24863135
• PubChem CID: 81865

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.079153
• LogD (pH = 7.4): 2.079153
• Log P: 2.079153
• Molar Refractivity: 31.2889 cm^3
• Polarizability: 11.940698 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-133 °C(lit.); 132-134°C
• Flash Point: 114 °F; 45°C; 46 °C
• Density: 1.317 g/mL at 25 °C(lit.); 1.348
• Refractive Index: 1.365; 1.3650; n20/D 1.365(lit.)

Safety Information

• Storage Warning: Flammable/Keep Cold; IRRITANT, KEEP COLD
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-37/38-40-41-43
• Safety Statements: 26-36/37/39
• TSCA Listed: false
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 96%; 97%
• Contains: hydroquinone as stabilizer
• Linear Formula: CH2=CHCOOCH2CF2CF2H

DETAILS

Apollo Scientific Ltd - PC6868

Inhibited with 50ppm MEHQ