pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate

• ChemBase ID: 9704
• Molecular Formular: C6F10O3
• Molecular Mass: 310.046432
• Monoisotopic Mass: 309.96877606
• SMILES: FC(C(C(=O)OC(=O)C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16
• InChIKey: XETRHNFRKCNWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate
• IUPAC Traditional name: pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate
• Synonyms: Pentafluoropropionic anhydride; Perfluoropropionic anhydride; Pentafluoropropionic anhydride; Pentafluoropropionic anhydride; PFAA; Perfluoropropanoic anhydride 99%; PFPA; 全氟丙酸酐; 五氟丙酸酐

Database IDs

• CAS Number: 356-42-3
• EC Number: 206-604-2
• MDL Number: MFCD00000429
• Beilstein Number: 1806446
• PubChem SID: 160973011; 24855205
• PubChem CID: 67742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3534234
• LogD (pH = 7.4): 3.3534234
• Log P: 3.3534234
• Molar Refractivity: 33.4384 cm^3
• Polarizability: 13.209896 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 69-70 °C/735 mmHg(lit.); 69-70°C/735mm; 73-74°C; 73-74°C
• Flash Point: none°C
• Density: 1.571; 1.571 g/mL at 25 °C(lit.); 1.589
• Refractive Index: <1.3000

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Corrosive/Stench/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34; 34; R:34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: true; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97%; ≥96.0% (GC); ≥97.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: (CF3CF2CO)2O

DETAILS

MP Biomedicals - 02198985

Purity: >97%
Clear, colorless liquid

Apollo Scientific Ltd - PC5750

Useful derivatising agent of amines, alcohols, etc for Electron-Capture GC detection, Anal. Chem,1984,56,1695

Sigma Aldrich - 77292

Other Notes
PFPA acylates amines, amino acids and other compounds. PFPA derivatives are highly volatile; used in GC separation 1,2,3

Sigma Aldrich - 252387

Packaging
5, 25 g in glass bottle

REFERENCES

• Reagent for the preparation of volatile pentafluoropropionyl derivatives of amines, alcohols, etc. for GC, sensitive to electron-capture detection: J. Chromat., 60, 134 (1971); 69, 157 (1972); 97, 19, 175 (1974); Anal. Chem., 56, 1695 (1984). For monographs on GC reagents, see: D. R. Knapp, Handbook of Analytical Derivatisation Reactions, Wiley, N.Y. (1979); Handbook of Derivatives for Chromatography, 2nd ed., K. Blau and J. M. Halket, Eds., Wiley, Chichester (1993).