potassium cyclopropyltrifluoroboranuide

• ChemBase ID: 97997
• Molecular Formular: C3H5BF3K
• Molecular Mass: 147.9763096
• Monoisotopic Mass: 148.0073469
• SMILES: [B-](C1CC1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C1CC1)(F)F.[K+]
• InChI: InChI=1S/C3H5BF3.K/c5-4(6,7)3-1-2-3;/h3H,1-2H2;/q-1;+1
• InChIKey: CFMLURFHOSOXRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium cyclopropyltrifluoroboranuide
• IUPAC Traditional name: potassium ion cyclopropyltrifluoroboranuide; potassium cyclopropyltrifluoroboranuide
• Synonyms: Cyclopropyltrifluoroboric acid potassium salt; Potassium cyclopropyltrifluoroborate; Potassium cyclopropyltrifluoroborate; 环丙基三氟硼酸钾

Database IDs

• CAS Number: 1065010-87-8
• MDL Number: MFCD09265031
• PubChem SID: 24884175; 162084471
• PubChem CID: 23697338

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1638
• LogD (pH = 7.4): 1.1638
• Log P: 1.1638
• Molar Refractivity: 16.98 cm^3
• Polarizability: 7.331695 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 348-350 °C; 348-350°C

Safety Information

• Storage Warning: Air Sensitive; Harmful/Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C3H5BF3K

DETAILS

Sigma Aldrich - 662984

General description
May contain 5-10% cyclopropylboronic acid
Packaging
1, 5 g in glass bottle
Application
Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactions1,2,3,4,5,6Organotrifluoroborates as versatile and stable boronic acid surrogates.
Protocols & Applications
Cross-Coupling with Potassium Cyclopropyltrifluoroborate