2,2,3-trifluoro-3-(trifluoromethyl)oxirane

• ChemBase ID: 97573
• Molecular Formular: C3F6O
• Molecular Mass: 166.0219192
• Monoisotopic Mass: 165.98533394
• SMILES: O1C(C1(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C1(F)OC1(F)F)(F)F
• InChI: InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1
• InChIKey: PGFXOWRDDHCDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3-trifluoro-3-(trifluoromethyl)oxirane
• IUPAC Traditional name: hexafluoropropylene oxide
• Synonyms: Hexafluoro-1,2-epoxypropane; Hexafluoropropylene oxide; Perfluoro-1,2-epoxypropane; 2,2,3-Trifluoro-3-(trifluoromethyl)oxirane; Perfluoro-1,2-propenoxide; trifluoro(trifluoromethyl)oxirane; Hexafluoropropylene oxide; 全氟环氧丙烷; 六氟环氧丙烷

Database IDs

• CAS Number: 428-59-1
• EC Number: 207-050-4
• MDL Number: MFCD00005125
• PubChem SID: 162084173; 24859408
• PubChem CID: 9883
• Chemspider ID: 9499
• Wikipedia Title: Hexafluoropropylene_oxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3866732
• LogD (pH = 7.4): 2.3866732
• Log P: 2.3866732
• Molar Refractivity: 16.8153 cm^3
• Polarizability: 6.5830407 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: nonpolar solvents
• Apperance: colourless gas
• Boiling Point: -27.4; -42 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1956
• German water hazard class: 3
• Hazard Class: 2.2
• Risk Statements: 36/37/38-44
• Safety Statements: 7-26-37/39-38
• GHS Pictograms: GHS04; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H280-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338-P410 + P403
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1956 2.2
• Supplemental Hazard Statements: Risk of explosion if heated under confinement.

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C3F6O

DETAILS

Apollo Scientific Ltd - PC4791

Versatile intermediate: J. Fluorine, Chem., 3, 451 (1973);Angew. Chem. Int .Ed., 24, 161 (1985); Enquire for others.. Cylinder - 1/4" NPT connection

Sigma Aldrich - 323640

Packaging
50, 300 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.