potassium (4-ethoxyphenyl)trifluoroboranuide

• ChemBase ID: 93988
• Molecular Formular: C8H9BF3KO
• Molecular Mass: 228.0609696
• Monoisotopic Mass: 228.03356165
• SMILES: [B-](c1ccc(cc1)OCC)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1ccc(cc1)OCC)(F)F.[K+]
• InChI: InChI=1S/C8H9BF3O.K/c1-2-13-8-5-3-7(4-6-8)9(10,11)12;/h3-6H,2H2,1H3;/q-1;+1
• InChIKey: VFMVIDDFXDLACU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (4-ethoxyphenyl)trifluoroboranuide
• IUPAC Traditional name: potassium ion (4-ethoxyphenyl)trifluoroboranuide; potassium (4-ethoxyphenyl)trifluoroboranuide
• Synonyms: Potassium (4-ethoxyphenyl)trifluoroborate; Potassium 4-ethoxyphenyltrifluoroborate; 4-乙氧基苯基三氟硼酸钾

Database IDs

• CAS Number: 850623-60-8
• MDL Number: MFCD04115753
• PubChem SID: 162080643
• PubChem CID: 23716862

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2195
• LogD (pH = 7.4): 2.2195
• Log P: 2.2195
• Molar Refractivity: 41.19 cm^3
• Polarizability: 16.251867 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298-304°C; 298-304°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%