hexafluoropentanedioic acid

• ChemBase ID: 8884
• Molecular Formular: C5H2F6O4
• Molecular Mass: 240.0573992
• Monoisotopic Mass: 239.98572786
• SMILES: OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)
• InChIKey: CCUWGJDGLACFQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoropentanedioic acid
• IUPAC Traditional name: perfluoroglutaric acid
• Synonyms: Hexafluoroglutaric acid; Perfluoroglutaric acid; Hexafluoroglutaric acid; Hexafluoroglutaric acid 98%; Hexafluoroglutaric acid; Perfluoroglutaric acid; PERFLUOROGLUTARIC ACID; 六氟戊二酸; 六氟戊二酸; 全氟戊二酸

Database IDs

• CAS Number: 376-73-8
• EC Number: 206-813-9
• MDL Number: MFCD00004172
• Beilstein Number: 1801049
• PubChem SID: 24851807; 160972191
• PubChem CID: 67827

CALCULATED PROPERTIES

• Acid pKa: 1.3780652
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.8069177
• LogD (pH = 7.4): -5.2138515
• Log P: 1.8381766
• Molar Refractivity: 28.4426 cm^3
• Polarizability: 11.469862 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-91 °C(lit.); 92-97°C; 92-97°C
• Boiling Point: 134-138 °C/3 mmHg(lit.); 134-138°C/3mm; 134-138°C/3mm
• Flash Point: none°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic; Hygroscopic; IRRITANT, HYGROSCOPIC, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• 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: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3

Product Information

• Purity: 97%; 98%
• Linear Formula: HOOC(CF2)3COOH

DETAILS

MP Biomedicals - 05207565

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 196908

Packaging
5 g in glass bottle