1,1,1-trifluoro-2-methoxyethane

• ChemBase ID: 8220
• Molecular Formular: C3H5F3O
• Molecular Mass: 114.0664096
• Monoisotopic Mass: 114.02924944
• SMILES: COCC(F)(F)F
• Canonical SMILES: COCC(F)(F)F
• InChI: InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3
• InChIKey: OHLVGBXMHDWRRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-2-methoxyethane
• IUPAC Traditional name: 1,1,1-trifluoro-2-methoxyethane
• Synonyms: 2,2,2-Trifluoroethyl methyl ether 97%; 2,2,2-Trifluoroethyl methyl ether; Methyl 2,2,2-trifluoroethyl ether; 2,2,2-Trifluoroethyl methyl ether; 2,2,2-三氟乙基 甲基 醚

Database IDs

• CAS Number: 460-43-5
• MDL Number: MFCD00236114
• Beilstein Number: 1734776
• PubChem SID: 160971527
• PubChem CID: 136304

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0796456
• LogD (pH = 7.4): 1.0796456
• Log P: 1.0796456
• Molar Refractivity: 18.4626 cm^3
• Polarizability: 6.7504444 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 30°C; 30°C
• Flash Point: -8°C(-18°F)
• Density: 1.156; 1.1661; 1.576
• Refractive Index: 1.2942

Safety Information

• Storage Warning: Flammable; IRRITANT, FLAMMABLE
• European Hazard Symbols: Highly flammable (F+)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: I
• Risk Statements: 12
• Safety Statements: 3/7-9-16-23-29-33
• TSCA Listed: false; 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H224
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 97%; 99+%

DETAILS

Apollo Scientific Ltd - PC7375

Cylinder - 1/4" NPT connection