sodium pentafluoropropanoate

• ChemBase ID: 99087
• Molecular Formular: C3F5NaO2
• Molecular Mass: 186.012686
• Monoisotopic Mass: 185.97161462
• SMILES: FC(F)(F)C(C(=O)[O-])(F)F.[Na+]
• Canonical SMILES: [O-]C(=O)C(C(F)(F)F)(F)F.[Na+]
• InChI: InChI=1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1
• InChIKey: SCWLIHXXYXFUFV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium pentafluoropropanoate
• IUPAC Traditional name: sodium pentafluoropropanoate; potassium pentafluoropropanoate
• Synonyms: Sodium pentafluoropropionate 98%; Sodium pentafluoropropionate; Pentafluoropropionic acid sodium salt; Perfluoropropionic acid sodium salt; SODIUM PERFLUOROPROPIONATE; SODIUM PENTAFLUOROPROPIONATE; 五氟丙酸 钠盐; 全氟丙酸 钠盐; 五氟丙酸钠盐

Database IDs

• CAS Number: 378-77-8
• EC Number: 206-830-1
• MDL Number: MFCD00066167
• Beilstein Number: 3636648
• PubChem SID: 24863834; 162085384; 24887179
• PubChem CID: 2733305

CALCULATED PROPERTIES

• Acid pKa: 1.3684716
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.8229642
• LogD (pH = 7.4): -1.9184777
• Log P: 1.6096257
• Molar Refractivity: 29.159 cm^3
• Polarizability: 7.016677 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128°C; 226-229 °C (dec.)(lit.); 226-229(dec.)°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant/Hygroscopic
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (NT); 98%
• Grade: purum
• Linear Formula: CF3CF2COONa

DETAILS

MP Biomedicals - 05218052

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05218047

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 381721

包装
10 g in glass bottle
50 g in poly bottle