tetrafluorooxolane-2,5-dione

• ChemBase ID: 9715
• Molecular Formular: C4F4O3
• Molecular Mass: 172.0346128
• Monoisotopic Mass: 171.97835674
• SMILES: C1(C(C(=O)OC1=O)(F)F)(F)F
• Canonical SMILES: O=C1OC(=O)C(C1(F)F)(F)F
• InChI: InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8
• InChIKey: ZLVLNNCBGQYRAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorooxolane-2,5-dione
• IUPAC Traditional name: tetrafluorooxolane-2,5-dione
• Synonyms: Tetrafluorosuccinic anhydride; Tetrafluorosuccinic anhydride 97%; Tetrafluorosuccinic anhydride; PERFLUOROSUCCINIC ANHYDRIDE; Perfluorosuccinic anhydride; Tetrafluorosuccinic anhydride; 四氟丁二酸酐; 四氟琥珀酸酐

Database IDs

• CAS Number: 699-30-9
• EC Number: 211-832-0
• MDL Number: MFCD00037917
• Beilstein Number: 156388
• PubChem SID: 160973022; 24888866
• PubChem CID: 69686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2717059
• LogD (pH = 7.4): 1.2717059
• Log P: 1.2717059
• Molar Refractivity: 20.5692 cm^3
• Polarizability: 8.504695 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54-55°C; 54-56 °C(lit.)
• Density: 1.609 g/mL at 20 °C(lit.); 1.6209; 1.621
• Refractive Index: 1.324; 1.3240; n20/D 1.327

Safety Information

• Storage Warning: Highly Toxic; IRRITANT, MOISTURE SENSITIVE, TOXIC BY INHALATION, CORROSIVE
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23-36/37/38
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H331-H335
• GHS Precautionary statements: P261-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2810 6.1/PG 2

Product Information

• Purity: ≥98.0% (T); 97%
• Empirical Formula (Hill Notation): C4F4O3

DETAILS

MP Biomedicals - 05221319

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC6890

Inhalation hazard!! Avoid breathing vapours. Inhalation hazard!! Avoid breathing vapours, Supplied in a Cylinder

Sigma Aldrich - 87265

Packaging
500 mg in glass bottle