potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate

• ChemBase ID: 12123
• Molecular Formular: C11H4F17KO2
• Molecular Mass: 530.2194144
• Monoisotopic Mass: 529.95769079
• SMILES: C(C(C(C(C(C(C(C(CCC(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F.[K+]
• Canonical SMILES: [O-]C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+]
• InChI: InChI=1S/C11H5F17O2.K/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;/h1-2H2,(H,29,30);/q;+1/p-1
• InChIKey: GLSNCEVEZGDFEG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• IUPAC Traditional name: potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate; potassium ion 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• Synonyms: 2H,2H,3H,3H-Perfluoroundecanoic acid potassium salt; Potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid potassium salt; Potassium 1H,1H,2H,2H-perfluoroundecanoate; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Heptafluoroundecanoic acid, potassium salt; Potassium 1H,1H,2H,2H-perfluoroundecanoate 97%; 2H,2H,3H,3H-全氟十一酸 钾盐; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷酸钾; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷酸 钾盐

Database IDs

• CAS Number: 83310-58-1
• EC Number: 280-373-6
• MDL Number: MFCD00042142
• Beilstein Number: 7509593
• PubChem SID: 160975430; 24889993
• PubChem CID: 2782416

CALCULATED PROPERTIES

• Acid pKa: 0.11068801
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2825627
• LogD (pH = 7.4): 2.2766838
• Log P: 5.806076
• Molar Refractivity: 66.5816 cm^3
• Polarizability: 21.655733 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ~210 °C (dec.)
• Flash Point: none°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 97%
• Linear Formula: CF3(CF2)7CH2CH2COOK

DETAILS

Sigma Aldrich - 94424

Packaging
5 g in poly bottle