2,2,2-trifluoroethyl 2-methylprop-2-enoate

• ChemBase ID: 8224
• Molecular Formular: C6H7F3O2
• Molecular Mass: 168.1137896
• Monoisotopic Mass: 168.03981412
• SMILES: C(=O)(OCC(F)(F)F)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(F)(F)F
• InChI: InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
• InChIKey: QTKPMCIBUROOGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,2-trifluoroethyl 2-methylprop-2-enoate
• Synonyms: 2,2,2-Trifluoroethyl methacrylate 99%; 2,2,2-Trifluoroethyl methacrylate; Methacrylic acid 2,2,2-trifluoroethyl ester; 2,2,2-Trifluoroethyl methacrylate; 2,2,2-三氟乙基甲基丙烯酸酯; 2,2,2-三氟乙基 甲基丙烯酸盐

Database IDs

• CAS Number: 352-87-4
• EC Number: 206-525-3
• MDL Number: MFCD00013576
• Beilstein Number: 4175872
• PubChem SID: 160971531; 24863259
• PubChem CID: 9608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2628214
• LogD (pH = 7.4): 2.2628214
• Log P: 2.2628214
• Molar Refractivity: 31.8677 cm^3
• Polarizability: 11.939013 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 29-30°C/40mm; 29-30°C/40mm; 59 °C/100 mmHg(lit.); 59°C/100mm
• Flash Point: 16°C; 17 °C; 25°C(77°F); 62.6 °F
• Density: 1.181; 1.181 g/mL at 25 °C(lit.)
• Refractive Index: 1.3610; 1.3624; n20/D 1.361(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant/Lachrymatory/Light Sensitive/Keep Cold; IRRITANT, FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3272; UN3272
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; III
• Risk Statements: 10-36/37/38; 11-36/37/38
• Safety Statements: 16-26; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98%, stab. with 30-50 ppm 4-methoxyphenol; 99%
• Contains: 100 ppm MEHQ as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CF3

DETAILS

MP Biomedicals - 05219324

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC7374

Stabilised with 4-methoxyphenol

Sigma Aldrich - 373761

Packaging
25 g in glass bottle