potassium trifluoro(quinolin-8-yl)boranuide

• ChemBase ID: 297916
• Molecular Formular: C9H6BF3KN
• Molecular Mass: 235.0551496
• Monoisotopic Mass: 235.01824594
• SMILES: [B-](c1cccc2c1nccc2)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1cccc2c1nccc2)(F)F.[K+]
• InChI: InChI=1S/C9H6BF3N.K/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8;/h1-6H;/q-1;+1
• InChIKey: HPQVFTVKGNXQEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(quinolin-8-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(quinolin-8-yl)boranuide
• Synonyms: Potassium quinoline-8-trifluoroborate; 喹啉-8-三氟硼酸钾

Database IDs

• MDL Number: MFCD09993448
• PubChem SID: 180683447
• PubChem CID: 56777400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2002904
• LogD (pH = 7.4): 2.2188575
• Log P: 2.2191
• Molar Refractivity: 43.8995 cm^3
• Polarizability: 18.363857 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%