potassium trifluoro(naphthalen-2-yl)boranuide

• ChemBase ID: 94539
• Molecular Formular: C10H7BF3K
• Molecular Mass: 234.0670896
• Monoisotopic Mass: 234.02299696
• SMILES: [K+].[B-](c1ccc2c(c1)cccc2)(F)(F)F
• Canonical SMILES: F[B-](c1ccc2c(c1)cccc2)(F)F.[K+]
• InChI: InChI=1S/C10H7BF3.K/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
• InChIKey: FXRJHJJHIOIXKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(naphthalen-2-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(naphthalen-2-yl)boranuide; potassium ion trifluoro(naphthalen-2-yl)boranuide
• Synonyms: Potassium trifluoro(2-naphthyl)borate; Potassium trifluoro(naphthalen-2-yl)borate; Potassium 2-naphthalenetrifluoroborate; Potassium (2-naphthalene)trifluoroborate 96%; 2-萘三氟硼酸钾

Database IDs

• CAS Number: 668984-08-5
• MDL Number: MFCD06659941
• PubChem SID: 24884255; 162081193
• PubChem CID: 23674705

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1319
• LogD (pH = 7.4): 3.1319
• Log P: 3.1319
• Molar Refractivity: 46.4284 cm^3
• Polarizability: 19.210627 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; >300°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H7BF3K

DETAILS

Sigma Aldrich - 657018

Packaging
1, 5 g in poly bottle
Application
Reactant for:
• Iron-promoted hydrolysis1
• Preparation of diaryl selenides using electrophilic selenium species in ionic liquids2
• Preparation of arylbenzeneacetic acids via palladium-catalyzed cross-coupling reaction with benzeneacetic acids in presence of amino acid ligands3
• Rh-catalyzed addition to N-tosyl or N-nosyl ketimine intermediates4
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates