1,1,2,2-tetrafluoro-1-methoxyethane

• ChemBase ID: 99239
• Molecular Formular: C3H4F4O
• Molecular Mass: 132.0568728
• Monoisotopic Mass: 132.01982763
• SMILES: O(C(C(F)F)(F)F)C
• Canonical SMILES: COC(C(F)F)(F)F
• InChI: InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3
• InChIKey: YQQHEHMVPLLOKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-1-methoxyethane
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-1-methoxyethane
• Synonyms: Methyl 1,1,2,2-tetrafluoroethyl ether; 1-Methoxy-1,1,2,2-tetrafluoroethane; Methyl 2H-tetrafluoroethyl ether 98%; 1,1,2,2-Tetrafluoroethyl methyl ether; 1,1,2,2-四氟乙基甲醚

Database IDs

• CAS Number: 425-88-7
• EC Number: 207-039-4
• MDL Number: MFCD00042106
• Beilstein Number: 1737755
• PubChem SID: 162085525
• PubChem CID: 67926

CALCULATED PROPERTIES

• Acid pKa: 18.88689
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4390239
• LogD (pH = 7.4): 1.4390239
• Log P: 1.4390239
• Molar Refractivity: 18.138 cm^3
• Polarizability: 6.8439074 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -107°C; -107°C
• Boiling Point: 36-37°C; 36-37°C
• Flash Point: -20°C
• Density: 1.294
• Refractive Index: 1.2840; 1.2939

Safety Information

• Storage Warning: Highly Flammable
• European Hazard Symbols: Flammable (F)
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H225
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 99%