potassium cyclobutyltrifluoroboranuide

• ChemBase ID: 144435
• Molecular Formular: C4H7BF3K
• Molecular Mass: 162.0028896
• Monoisotopic Mass: 162.02299696
• SMILES: [B-](C1CCC1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C1CCC1)(F)F.[K+]
• InChI: InChI=1S/C4H7BF3.K/c6-5(7,8)4-2-1-3-4;/h4H,1-3H2;/q-1;+1
• InChIKey: GZQJPWKFEMYYOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium cyclobutyltrifluoroboranuide
• IUPAC Traditional name: potassium cyclobutyltrifluoroboranuide
• Synonyms: Potassium cyclobutyltrifluoroborate; potassium cyclobutyltrifluoroboranuide

Database IDs

• CAS Number: 1065010-88-9
• MDL Number: MFCD09992884
• PubChem SID: 162238650
• PubChem CID: 25105160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5601
• LogD (pH = 7.4): 1.5601
• Log P: 1.5601
• Molar Refractivity: 21.581 cm^3
• Polarizability: 9.085741 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 369 - 371°C; 94-100 °C
• Hydrophobicity(logP): 0.473

Safety Information

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

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C4H7BF3K

DETAILS

Sigma Aldrich - 738476

Packaging
1, 5 g in glass bottle
500 mg in glass bottle