potassium cyclohex-1-en-1-yltrifluoroboranuide

• ChemBase ID: 144419
• Molecular Formular: C6H9BF3K
• Molecular Mass: 188.0401696
• Monoisotopic Mass: 188.03864703
• SMILES: [B-](C1=CCCCC1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C1=CCCCC1)(F)F.[K+]
• InChI: InChI=1S/C6H9BF3.K/c8-7(9,10)6-4-2-1-3-5-6;/h4H,1-3,5H2;/q-1;+1
• InChIKey: HGMUFAMKMWVCQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium cyclohex-1-en-1-yltrifluoroboranuide
• IUPAC Traditional name: potassium cyclohex-1-en-1-yltrifluoroboranuide
• Synonyms: Potassium 1-cyclohexen-1-yltrifluoroborate; Potassium cyclohexenyltrifluoroborate

Database IDs

• CAS Number: 1186667-20-8
• MDL Number: MFCD09992928
• PubChem SID: 162238634
• PubChem CID: 55267848

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4601
• LogD (pH = 7.4): 1.4601
• Log P: 1.4601
• Molar Refractivity: 32.5542 cm^3
• Polarizability: 12.39728 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Physical Property

• Melting Point: 191-196 °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

• Empirical Formula (Hill Notation): C6H9BF3K

DETAILS

Sigma Aldrich - 738433

Packaging
1 g in glass bottle
500 mg in glass bottle