2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate

• ChemBase ID: 9771
• Molecular Formular: C7H7F5O2
• Molecular Mass: 218.121296
• Monoisotopic Mass: 218.03662056
• SMILES: C(C(C(F)(F)F)(F)F)OC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3
• InChIKey: CLISWDZSTWQFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate
• Synonyms: 1H,1H-Pentafluoropropyl methacrylate; 2,2,3,3,3-Pentafluoropropyl methacrylate; 2,2,3,3,3-Pentafluoropropyl methacrylate 97%; Methacrylic acid 2,2,3,3,3-pentafluoropropyl ester; 2,2,3,3,3-五氟丙基甲基丙烯酸盐; 2,2,3,3,3-五氟丙基 甲基丙烯酸酯

Database IDs

• CAS Number: 45115-53-5
• EC Number: 256-191-8
• MDL Number: MFCD00039256
• PubChem SID: 24870968; 160973078
• PubChem CID: 123516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.963464
• LogD (pH = 7.4): 2.963464
• Log P: 2.963464
• Molar Refractivity: 36.5357 cm^3
• Polarizability: 13.706194 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54-55°C/100mm; 55 °C/100 mmHg(lit.); 55°C/100mm
• Flash Point: 29 °C; 29°C; 29°C(84°F); 84.2 °F
• Density: 1.277 g/mL at 25 °C(lit.); 1.279; 1.573
• Refractive Index: 1.344; 1.348; 1.3480; n20/D 1.347(lit.)

Safety Information

• Storage Warning: Flammable/Keep Cold; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-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 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97%, stab.
• Contains: 100 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CF2CF3

DETAILS

Apollo Scientific Ltd - PC5788

Inhibited with 50ppm MEHQ

Sigma Aldrich - 474193

Packaging
5 mL in glass bottle