potassium trifluoro(thiophen-3-yl)boranuide

• ChemBase ID: 97400
• Molecular Formular: C4H3BF3KS
• Molecular Mass: 190.0361296
• Monoisotopic Mass: 189.96376784
• SMILES: [B-](c1cscc1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1cscc1)(F)F.[K+]
• InChI: InChI=1S/C4H3BF3S.K/c6-5(7,8)4-1-2-9-3-4;/h1-3H;/q-1;+1
• InChIKey: ULOOPHJJEPUNNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(thiophen-3-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(thiophen-3-yl)boranuide; potassium ion trifluoro(thiophen-3-yl)boranuide
• Synonyms: Potassium Thiophene-3-trifluoroborate; Potassium 3-thiophenetrifluoroborate; Potassium 3-thiophenetrifluoroborate; 3-噻吩三氟硼酸钾

Database IDs

• CAS Number: 192863-37-9
• MDL Number: MFCD03701626
• PubChem SID: 162084008; 24874750
• PubChem CID: 23677379

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7991
• LogD (pH = 7.4): 1.7991
• Log P: 1.7991
• Molar Refractivity: 27.084 cm^3
• Polarizability: 10.760148 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Nitrogen
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C4H3BF3KS

DETAILS

Sigma Aldrich - 571571

Packaging
1 g in poly bottle
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates