potassium butyltrifluoroboranuide

• ChemBase ID: 139687
• Molecular Formular: C4H9BF3K
• Molecular Mass: 164.0187696
• Monoisotopic Mass: 164.03864703
• SMILES: [B-](CCCC)(F)(F)F.[K+]
• Canonical SMILES: CCCC[B-](F)(F)F.[K+]
• InChI: InChI=1S/C4H9BF3.K/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q-1;+1
• InChIKey: XLHVTQCFJZFJSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium butyltrifluoroboranuide
• IUPAC Traditional name: potassium butyltrifluoroboranuide
• Synonyms: Potassium butyltrifluoroborate; 丁基三氟硼酸钾

Database IDs

• CAS Number: 444343-55-9
• MDL Number: MFCD08276805
• PubChem SID: 24884458; 162233935
• PubChem CID: 23693579

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8608
• LogD (pH = 7.4): 1.8608
• Log P: 1.8608
• Molar Refractivity: 23.6726 cm^3
• Polarizability: 9.754913 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >230 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2

Product Information

• Purity: 95%
• Linear Formula: CH3CH2CH2CH2BF3K

DETAILS

Sigma Aldrich - 660094

Packaging
1, 5 g in glass bottle
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates