potassium (4-butoxyphenyl)trifluoroboranuide

• ChemBase ID: 94374
• Molecular Formular: C10H13BF3KO
• Molecular Mass: 256.1141296
• Monoisotopic Mass: 256.06486178
• SMILES: [B-](c1ccc(cc1)OCCCC)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1ccc(cc1)OCCCC)(F)F.[K+]
• InChI: InChI=1S/C10H13BF3O.K/c1-2-3-8-15-10-6-4-9(5-7-10)11(12,13)14;/h4-7H,2-3,8H2,1H3;/q-1;+1
• InChIKey: UEVIEKRZQJRPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (4-butoxyphenyl)trifluoroboranuide
• IUPAC Traditional name: potassium ion (4-butoxyphenyl)trifluoroboranuide; potassium (4-butoxyphenyl)trifluoroboranuide
• Synonyms: Potassium (4-butoxyphenyl)trifluoroborate 96%; Potassium 4-n-butoxyphenyltrifluoroborate; 4-正丁氧基三氟硼酸钾

Database IDs

• CAS Number: 850623-61-9
• MDL Number: MFCD04115755
• PubChem SID: 162081028
• PubChem CID: 44717219

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0844
• LogD (pH = 7.4): 3.0844
• Log P: 3.0844
• Molar Refractivity: 50.315 cm^3
• Polarizability: 19.876358 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C; >300°C

Safety Information

• Storage Warning: Irritant/Keep Cold
• 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: 96%