potassium trifluoro(4-methylnaphthalen-1-yl)boranuide

• ChemBase ID: 93993
• Molecular Formular: C11H9BF3K
• Molecular Mass: 248.0936696
• Monoisotopic Mass: 248.03864703
• SMILES: [B-](c1c2c(c(cc1)C)cccc2)(F)(F)F.[K+]
• Canonical SMILES: Cc1ccc(c2c1cccc2)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C11H9BF3.K/c1-8-6-7-11(12(13,14)15)10-5-3-2-4-9(8)10;/h2-7H,1H3;/q-1;+1
• InChIKey: YZIUPDNTOPJMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(4-methylnaphthalen-1-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(4-methylnaphthalen-1-yl)boranuide; potassium ion trifluoro(4-methylnaphthalen-1-yl)boranuide
• Synonyms: Potassium 4-methyl-1-naphthalenetrifluoroborate; Potassium (4-methyl-1-naphthalene)trifluoroborate; 4-甲基-1-萘三氟硼酸钾

Database IDs

• CAS Number: 850623-55-1
• MDL Number: MFCD04115748
• PubChem SID: 162080648
• PubChem CID: 23716865

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5991
• LogD (pH = 7.4): 3.5991
• Log P: 3.5991
• Molar Refractivity: 51.4696 cm^3
• Polarizability: 20.972485 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-208°C; 204-208°C

Safety Information

• Storage Warning: 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%