potassium (3,3-dimethylbutyl)trifluoroboranuide

• ChemBase ID: 140315
• Molecular Formular: C6H13BF3K
• Molecular Mass: 192.0719296
• Monoisotopic Mass: 192.06994716
• SMILES: [B-](CCC(C)(C)C)(F)(F)F.[K+]
• Canonical SMILES: CC(CC[B-](F)(F)F)(C)C.[K+]
• InChI: InChI=1S/C6H13BF3.K/c1-6(2,3)4-5-7(8,9)10;/h4-5H2,1-3H3;/q-1;+1
• InChIKey: RAXISKMTAMCZKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (3,3-dimethylbutyl)trifluoroboranuide
• IUPAC Traditional name: potassium (3,3-dimethylbutyl)trifluoroboranuide
• Synonyms: Potassium (3,3-dimethylbutyl)trifluoroborate; (3,3-二甲基丁基)三氟硼酸钾

Database IDs

• MDL Number: MFCD09265034
• PubChem SID: 162234559; 24884888
• PubChem CID: 23697354

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6245
• LogD (pH = 7.4): 2.6245
• Log P: 2.6245
• Molar Refractivity: 32.6963 cm^3
• Polarizability: 13.3377 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Linear Formula: (CH3)3CCH2CH2BF3K

DETAILS

Sigma Aldrich - 667161

Packaging
1, 5 g in poly bottle