potassium trifluoro(2-fluorophenyl)boranuide

• ChemBase ID: 298340
• Molecular Formular: C6H4BF4K
• Molecular Mass: 201.9988728
• Monoisotopic Mass: 201.99792509
• SMILES: [B-](c1ccccc1F)(F)(F)F.[K+]
• Canonical SMILES: Fc1ccccc1[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H4BF4.K/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;/q-1;+1
• InChIKey: XNCGQXSPWSTQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(2-fluorophenyl)boranuide
• IUPAC Traditional name: potassium trifluoro(2-fluorophenyl)boranuide
• Synonyms: Potassium 2-fluorophenyltrifluoroborate; 2-氟苯基三氟硼酸钾

Database IDs

• CAS Number: 166328-10-5
• MDL Number: MFCD06659937
• PubChem SID: 180683871
• PubChem CID: 23690854

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2692
• LogD (pH = 7.4): 2.2692
• Log P: 2.2692
• Molar Refractivity: 30.1946 cm^3
• Polarizability: 11.782822 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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• 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: 96%