potassium trifluoro(5-formylthiophen-2-yl)boranuide

• ChemBase ID: 296559
• Molecular Formular: C5H3BF3KOS
• Molecular Mass: 218.0462296
• Monoisotopic Mass: 217.95868246
• SMILES: [B-](c1ccc(s1)C=O)(F)(F)F.[K+]
• Canonical SMILES: O=Cc1ccc(s1)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C5H3BF3OS.K/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-3H;/q-1;+1
• InChIKey: XERVPXDMNWPUFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(5-formylthiophen-2-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(5-formylthiophen-2-yl)boranuide
• Synonyms: Potassium 5-formylthiophene-2-trifluoroborate; 5-甲酰噻吩-2-三氟硼酸钾

Database IDs

• CAS Number: 1025113-78-3
• MDL Number: MFCD09800740
• PubChem SID: 180682090
• PubChem CID: 45479878

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5523
• LogD (pH = 7.4): 1.5523
• Log P: 1.5523
• Molar Refractivity: 32.612 cm^3
• Polarizability: 12.766363 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245°C dec.

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%