potassium (3-bromophenyl)trifluoroboranuide

• ChemBase ID: 96926
• Molecular Formular: C6H4BBrF3K
• Molecular Mass: 262.9044696
• Monoisotopic Mass: 261.91785887
• SMILES: [B-](c1cccc(c1)Br)(F)(F)F.[K+]
• Canonical SMILES: Brc1cccc(c1)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H4BBrF3.K/c8-6-3-1-2-5(4-6)7(9,10)11;/h1-4H;/q-1;+1
• InChIKey: NIDYRVJZTADCGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (3-bromophenyl)trifluoroboranuide
• IUPAC Traditional name: potassium ion (3-bromophenyl)trifluoroboranuide; potassium (3-bromophenyl)trifluoroboranuide
• Synonyms: Potassium (3-bromophenyl)trifluoroborate 97%; 3-Bromobenzenetrifluoroboric acid potassium salt; 3-Bromophenyltrifluoroboric acid potassium salt; Potassium 3-bromophenyltrifluoroborate; 3-溴苯基三氟硼酸钾

Database IDs

• CAS Number: 374564-34-8
• EC Number: 000-000-0
• MDL Number: MFCD02093977
• PubChem SID: 162083570
• PubChem CID: 23677642

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9215
• LogD (pH = 7.4): 2.9215
• Log P: 2.9215
• Molar Refractivity: 37.601 cm^3
• Polarizability: 15.023408 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-182°C; 178-182°C

Safety Information

• Storage Warning: Irritant
• 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%