(difluoromethoxy)difluoromethane

• ChemBase ID: 8068
• Molecular Formular: C2H2F4O
• Molecular Mass: 118.0302928
• Monoisotopic Mass: 118.00417756
• SMILES: O(C(F)F)C(F)F
• Canonical SMILES: FC(OC(F)F)F
• InChI: InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H
• InChIKey: IOCGMLSHRBHNCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (difluoromethoxy)difluoromethane
• IUPAC Traditional name: di(difluoromethyl) ether
• Synonyms: 1,1,3,3-Tetrafluorodimethyl ether 97%; 1,1,3,3-Tetrafluorodimethyl ether

Database IDs

• CAS Number: 1691-17-4
• MDL Number: MFCD00042097
• PubChem SID: 160971375
• PubChem CID: 74321

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.978066
• LogD (pH = 7.4): 1.978066
• Log P: 1.978066
• Molar Refractivity: 13.0303 cm^3
• Polarizability: 5.227012 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 4.7°C; 5°C
• Flash Point: none°C

Safety Information

• Storage Warning: GAS; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC6748

Cylinder - 1/4" NPT connection