hexafluorooxane-2,6-dione

• ChemBase ID: 8885
• Molecular Formular: C5F6O3
• Molecular Mass: 222.0421192
• Monoisotopic Mass: 221.97516318
• SMILES: C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
• Canonical SMILES: O=C1OC(=O)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11
• InChIKey: IHYAGCYJVNHXCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluorooxane-2,6-dione
• IUPAC Traditional name: hexafluoroglutaric anhydride
• Synonyms: Hexafluoroglutaric anhydride; Hexafluoroglutaric anhydride; Hexafluoroglutaric anhydride 98%; Perfluoroglutaric anhydride; 3,3,4,4,5,5-hexafluorodihydro-2H-pyran-2,6(3H)-dione; 六氟戊二酸酐

Database IDs

• CAS Number: 376-68-1
• EC Number: 206-811-8
• MDL Number: MFCD00006680
• Beilstein Number: 210699
• PubChem SID: 24857471; 160972192
• PubChem CID: 78995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9723486
• LogD (pH = 7.4): 1.9723486
• Log P: 1.9723486
• Molar Refractivity: 25.2372 cm^3
• Polarizability: 10.399389 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-72°C; 72 °C(lit.); 72°C
• Flash Point: None; none°C
• Density: 1.652; 1.654; 1.654 g/mL at 25 °C(lit.)
• Refractive Index: 1.324; 1.3240; n20/D 1.324(lit.)
• Hydrophobicity(logP): 3.345

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive; IRRITANT, MOISTURE SENSITIVE, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P308+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C5F6O3

DETAILS

Sigma Aldrich - 290513

Packaging
1, 5 g in glass bottle