potassium 1-benzofuran-2-yltrifluoroboranuide

• ChemBase ID: 143595
• Molecular Formular: C8H5BF3KO
• Molecular Mass: 224.0292096
• Monoisotopic Mass: 224.00226152
• SMILES: [B-](c1cc2ccccc2o1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1cc2c(o1)cccc2)(F)F.[K+]
• InChI: InChI=1S/C8H5BF3O.K/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8;/h1-5H;/q-1;+1
• InChIKey: UHZFYHWZTXEABO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 1-benzofuran-2-yltrifluoroboranuide
• IUPAC Traditional name: potassium 1-benzofuran-2-yltrifluoroboranuide
• Synonyms: Potassium 2-benzofuranyltrifluoroborate; Potassium benzofuranyl-2-trifluoroborate; Potassium benzofuran-2-trifluoroborate; 2-苯并呋喃基三氟硼酸钾; 苯并呋喃基-2-三氟硼酸钾; 苯并呋喃-2-三氟硼酸钾

Database IDs

• CAS Number: 929626-27-7
• MDL Number: MFCD11052671
• PubChem SID: 162237813
• PubChem CID: 23674671

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3512
• LogD (pH = 7.4): 2.3512
• Log P: 2.3512
• Molar Refractivity: 38.0726 cm^3
• Polarizability: 16.200064 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 310-353 °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

• Purity: 90%
• Empirical Formula (Hill Notation): C8H5BF3KO

DETAILS

Sigma Aldrich - 725099

Packaging
1, 5 g in glass bottle