nonafluoropentanoic acid

• ChemBase ID: 9651
• Molecular Formular: C5HF9O2
• Molecular Mass: 264.0458688
• Monoisotopic Mass: 263.98328325
• SMILES: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
• Canonical SMILES: OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
• InChIKey: CXZGQIAOTKWCDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonafluoropentanoic acid
• IUPAC Traditional name: nonafluoropentanoic acid
• Synonyms: n-Perfluoropentanoic acid; Nonafluorovaleric acid; n-Nonafluoropentanoic acid 98%; Nonafluorovaleric acid; Nonafluoropentanoic acid; Perfluoropentanoic acid; Perfluoropentanoic acid; 九氟戊酸; 九氟戊酸; 全氟戊酸; 正全氟戊酸; 全氟戊酸

Database IDs

• CAS Number: 2706-90-3
• EC Number: 220-300-7
• MDL Number: MFCD00040211
• Beilstein Number: 1800087
• PubChem SID: 24864676; 160972958; 24887174
• PubChem CID: 75921

CALCULATED PROPERTIES

• Acid pKa: 0.34070453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50849223
• LogD (pH = 7.4): -0.5184284
• Log P: 3.010911
• Molar Refractivity: 27.6579 cm^3
• Polarizability: 10.96584 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C(lit.); 140°C; 82°C/85mm
• Flash Point: none°C
• Density: 1.713; 1.713 g/mL at 25 °C(lit.)
• Refractive Index: 1.294; 1.2940; n20/D 1.294(lit.)

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 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: 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

Product Information

• Purity: ≥94% (GC); 97%
• Grade: technical
• Linear Formula: CF3(CF2)3COOH

DETAILS

Sigma Aldrich - 396575

Packaging
5, 25 mL in glass bottle