potassium trifluoro(3-fluoro-4-phenylphenyl)boranuide

• ChemBase ID: 93992
• Molecular Formular: C12H8BF4K
• Molecular Mass: 278.0948328
• Monoisotopic Mass: 278.02922522
• SMILES: [B-](c1cc(c(cc1)c1ccccc1)F)(F)(F)F.[K+]
• Canonical SMILES: Fc1cc(ccc1c1ccccc1)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C12H8BF4.K/c14-12-8-10(13(15,16)17)6-7-11(12)9-4-2-1-3-5-9;/h1-8H;/q-1;+1
• InChIKey: ZSOWNGROMWKEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(3-fluoro-4-phenylphenyl)boranuide
• IUPAC Traditional name: potassium ion trifluoro(3-fluoro-4-phenylphenyl)boranuide; potassium trifluoro(3-fluoro-4-phenylphenyl)boranuide
• Synonyms: Potassium (2-fluorobiphenyl-4-yl)trifluoroborate; Potassium (3-fluoro-4-phenyl)phenyltrifluoroborate; Potassium trifluoro(2-fluoro-4-biphenylyl)borate; 三氟(2-氟-4-双苯基)硼酸钾

Database IDs

• CAS Number: 850623-57-3
• MDL Number: MFCD08235035
• PubChem SID: 162080647
• PubChem CID: 23707156

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9536
• LogD (pH = 7.4): 3.9536
• Log P: 3.9536
• Molar Refractivity: 55.3308 cm^3
• Polarizability: 22.362503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290-294°C; 290-294°C

Safety Information

• Storage Warning: Harmful/Irritant
• 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%