potassium butane trifluoro(4-isocyanatophenyl)boranuide

• ChemBase ID: 297917
• Molecular Formular: C11H14BF3KNO
• Molecular Mass: 283.1394696
• Monoisotopic Mass: 283.07576081
• SMILES: [B-](c1ccc(cc1)N=C=O)(F)(F)F.CCCC.[K+]
• Canonical SMILES: F[B-](c1ccc(cc1)N=C=O)(F)F.CCCC.[K+]
• InChI: InChI=1S/C7H4BF3NO.C4H10.K/c9-8(10,11)6-1-3-7(4-2-6)12-5-13;1-3-4-2;/h1-4H;3-4H2,1-2H3;/q-1;;+1
• InChIKey: LEKOXGQPADZFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium butane trifluoro(4-isocyanatophenyl)boranuide
• IUPAC Traditional name: potassium butane trifluoro(4-isocyanatophenyl)boranuide
• Synonyms: Potassium 4-(diethylaminocarbonyl)phenyltrifluoroborate; 4-(二乙基氨基羰基)苯基三氟硼酸钾

Database IDs

• MDL Number: MFCD16293903
• PubChem SID: 180683448
• PubChem CID: 73995279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9769
• LogD (pH = 7.4): 1.9769
• Log P: 1.9769
• Molar Refractivity: 39.0502 cm^3
• Polarizability: 14.354775 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 3
• 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%