potassium trifluoro(prop-1-en-2-yl)boranuide

• ChemBase ID: 97808
• Molecular Formular: C3H5BF3K
• Molecular Mass: 147.9763096
• Monoisotopic Mass: 148.0073469
• SMILES: [B-](C(=C)C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C(=C)C)(F)F.[K+]
• InChI: InChI=1S/C3H5BF3.K/c1-3(2)4(5,6)7;/h1H2,2H3;/q-1;+1
• InChIKey: QKBZHQPFHGKCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(prop-1-en-2-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(prop-1-en-2-yl)boranuide; potassium ion trifluoro(prop-1-en-2-yl)boranuide
• Synonyms: Potassium isopropenyltrifluoroborate; Potassium isopropenyltrifluoroborate; Potassium (prop-1-en-2-yl)trifluoroborate; 异丙烯基三氟硼酸钾

Database IDs

• CAS Number: 395083-14-4
• MDL Number: MFCD11052654
• PubChem SID: 162084351
• PubChem CID: 23670158

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8203
• LogD (pH = 7.4): 0.8203
• Log P: 0.8203
• Molar Refractivity: 19.4809 cm^3
• Polarizability: 7.7308903 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 274-280 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C3H5BF3K

DETAILS

Sigma Aldrich - 723916

Packaging
1, 5 g in glass bottle