2-[(2,2,3,3-tetrafluoropropoxy)methyl]oxirane

• ChemBase ID: 7338
• Molecular Formular: C6H8F4O2
• Molecular Mass: 188.1201328
• Monoisotopic Mass: 188.04604238
• SMILES: C(C(COCC1OC1)(F)F)(F)F
• Canonical SMILES: FC(C(COCC1OC1)(F)F)F
• InChI: InChI=1S/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2
• InChIKey: DATKALAKXGFGPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,2,3,3-tetrafluoropropoxy)methyl]oxirane
• IUPAC Traditional name: 2-[(2,2,3,3-tetrafluoropropoxy)methyl]oxirane
• Synonyms: Glycidyl 2,2,3,3-tetrafluoropropyl ether; 2-[(2,2,3,3-Tetrafluoropropoxy)methyl]oxirane; 3-(2,2,3,3-Tetrafluoropropoxy)-1,2-propenoxide 97%; 3-(2,2,3,3-Tetrafluoropropoxy)-1,2-propenoxide; 3-(2,2,3,3-四氟丙氧基)-1,2-氧化丙烯

Database IDs

• CAS Number: 19932-26-4
• EC Number: 243-431-1
• MDL Number: MFCD00054682
• PubChem SID: 160970645; 24870962
• PubChem CID: 89247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1327945
• LogD (pH = 7.4): 1.1327945
• Log P: 1.1327945
• Molar Refractivity: 30.9856 cm^3
• Polarizability: 12.114462 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50 °C/4 mmHg(lit.); 50-52°C/4mm
• Flash Point: 174.2 °F; 79 °C
• Density: 1.327 g/mL at 25 °C(lit.); 1.331
• Refractive Index: 1.365; n20/D 1.366(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H8F4O2

DETAILS

Sigma Aldrich - 474150

Packaging
25 mL in poly bottle