potassium (3,5-difluorophenyl)trifluoroboranuide

• ChemBase ID: 94385
• Molecular Formular: C6H3BF5K
• Molecular Mass: 219.989336
• Monoisotopic Mass: 219.98850328
• SMILES: [K+].[B-](c1cc(cc(c1)F)F)(F)(F)F
• Canonical SMILES: Fc1cc(cc(c1)F)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H3BF5.K/c8-5-1-4(7(10,11)12)2-6(9)3-5;/h1-3H;/q-1;+1
• InChIKey: JFSPHPHYZHGKPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (3,5-difluorophenyl)trifluoroboranuide
• IUPAC Traditional name: potassium (3,5-difluorophenyl)trifluoroboranuide; potassium ion (3,5-difluorophenyl)trifluoroboranuide
• Synonyms: Potassium 3,5-difluorophenyltrifluoroborate; Potassium (3,5-difluorophenyl)trifluoroborate 96%; 3,5-二氟苯基三氟硼酸钾

Database IDs

• CAS Number: 267006-26-8
• MDL Number: MFCD06659939
• PubChem SID: 162081039
• PubChem CID: 23681893

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4087
• LogD (pH = 7.4): 2.4087
• Log P: 2.4087
• Molar Refractivity: 30.411 cm^3
• Polarizability: 11.7385435 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273-278°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%