potassium trifluoro(furan-3-yl)boranuide

• ChemBase ID: 144195
• Molecular Formular: C4H3BF3KO
• Molecular Mass: 173.9705296
• Monoisotopic Mass: 173.98661146
• SMILES: [B-](c1ccoc1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1cocc1)(F)F.[K+]
• InChI: InChI=1S/C4H3BF3O.K/c6-5(7,8)4-1-2-9-3-4;/h1-3H;/q-1;+1
• InChIKey: QVTNSKLYIAKFKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(furan-3-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(furan-3-yl)boranuide
• Synonyms: Potassium 3-furantrifluoroborate; Potassium furan-3-yltrifluoroborate; Potassium furan-3-trifluoroborate

Database IDs

• MDL Number: MFCD09992889
• PubChem SID: 162238412
• PubChem CID: 63950557

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3139
• LogD (pH = 7.4): 1.3139
• Log P: 1.3139
• Molar Refractivity: 22.4916 cm^3
• Polarizability: 9.061393 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-193 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C4H3BF3KO

DETAILS

Sigma Aldrich - 729205

Packaging
1 g in glass bottle