2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate

• ChemBase ID: 8075
• Molecular Formular: C7H8F4O2
• Molecular Mass: 200.1308328
• Monoisotopic Mass: 200.04604238
• SMILES: O(C(=O)C(=C)C)CC(F)(F)C(F)F
• Canonical SMILES: FC(C(COC(=O)C(=C)C)(F)F)F
• InChI: InChI=1S/C7H8F4O2/c1-4(2)5(12)13-3-7(10,11)6(8)9/h6H,1,3H2,2H3
• InChIKey: RSVZYSKAPMBSMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
• Synonyms: 2,2,3,3-Tetrafluoropropyl methacrylate 97%; 2,2,3,3-Tetrafluoropropyl methacrylate; 2,2,3,3-Tetrafluoropropyl methacrylate; Methacrylic acid 2,2,3,3-tetrafluoropropyl ester; 2,2,3,3-Tetrafluoropropyl 2-methylpropenoate; 2,2,3,3-四氟丙基甲基丙烯酸酯; 2,2,3,3-四氟丙基 甲基丙烯酸盐

Database IDs

• CAS Number: 45102-52-1
• EC Number: 256-189-7
• MDL Number: MFCD00042381
• Beilstein Number: 3588831
• PubChem SID: 24863140; 160971382
• PubChem CID: 123515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4747036
• LogD (pH = 7.4): 2.4747036
• Log P: 2.4747036
• Molar Refractivity: 35.646 cm^3
• Polarizability: 13.674216 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124 °C(lit.); 146-149°C; 70°C/51mm
• Flash Point: 123.8 °F; 50°C; 50°C(122°F); 51 °C
• Density: 1.25 g/mL at 25 °C(lit.); 1.254
• Refractive Index: 1.373; 1.374; 1.3750; n20/D 1.373(lit.)

Safety Information

• Storage Warning: FLAMMABLE; Flammable/Keep Cold
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 3272; UN3272
• German water hazard class: nwg
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-37/38-41; 10-36/37/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H315-H318-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 97%; 97%, stab. with 50ppm 4-methoxyphenol; 99%
• Contains: BHT as stabilizer
• Linear Formula: CH2=C(CH3)COOCH2CF2CF2H

DETAILS

Apollo Scientific Ltd - PC6869

Inhibited with 50ppm MEHQ

Sigma Aldrich - 371998

Packaging
25 g in glass bottle