potassium ethyltrifluoroboranuide

• ChemBase ID: 143189
• Molecular Formular: C2H5BF3K
• Molecular Mass: 135.9656096
• Monoisotopic Mass: 136.0073469
• SMILES: [B-](CC)(F)(F)F.[K+]
• Canonical SMILES: F[B-](CC)(F)F.[K+]
• InChI: InChI=1S/C2H5BF3.K/c1-2-3(4,5)6;/h2H2,1H3;/q-1;+1
• InChIKey: GIIPADVFWNGSKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium ethyltrifluoroboranuide
• IUPAC Traditional name: potassium ethyltrifluoroboranuide
• Synonyms: Potassium ethyltrifluoroborate; 乙基三氟硼酸钾

Database IDs

• CAS Number: 44248-07-9
• MDL Number: MFCD04112713
• PubChem SID: 162237410
• PubChem CID: 23668491

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0682
• LogD (pH = 7.4): 1.0682
• Log P: 1.0682
• Molar Refractivity: 14.4706 cm^3
• Polarizability: 6.2448006 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-84 °C

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%
• Empirical Formula (Hill Notation): C2H5BF3K

DETAILS

Sigma Aldrich - 715212

Packaging
1 g in glass bottle