potassium but-2-en-2-yltrifluoroboranuide

• ChemBase ID: 143084
• Molecular Formular: C4H7BF3K
• Molecular Mass: 162.0028896
• Monoisotopic Mass: 162.02299696
• SMILES: [B-](/C(=C/C)/C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](/C(=C/C)/C)(F)F.[K+]
• InChI: InChI=1S/C4H7BF3.K/c1-3-4(2)5(6,7)8;/h3H,1-2H3;/q-1;+1
• InChIKey: IFJZXYDBLMMRCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium but-2-en-2-yltrifluoroboranuide
• IUPAC Traditional name: potassium but-2-en-2-yltrifluoroboranuide
• Synonyms: Potassium (2Z)-2-buten-2-yltrifluoroborate; (2Z)-2-丁烯-2-基三氟硼酸钾

Database IDs

• MDL Number: MFCD16621473
• PubChem SID: 162237307
• PubChem CID: 71310868

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1715
• LogD (pH = 7.4): 1.1715
• Log P: 1.1715
• Molar Refractivity: 25.1544 cm^3
• Polarizability: 9.500111 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147-152 °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
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

Sigma Aldrich - 720747

Packaging
1 g in glass bottle