potassium (2,4-dichlorophenyl)trifluoroboranuide

• ChemBase ID: 94369
• Molecular Formular: C6H3BCl2F3K
• Molecular Mass: 252.8985296
• Monoisotopic Mass: 251.9294022
• SMILES: Clc1cc(c(cc1)[B-](F)(F)F)Cl.[K+]
• Canonical SMILES: Clc1ccc(c(c1)Cl)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H3BCl2F3.K/c8-4-1-2-5(6(9)3-4)7(10,11)12;/h1-3H;/q-1;+1
• InChIKey: MASOPVJEJIORDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2,4-dichlorophenyl)trifluoroboranuide
• IUPAC Traditional name: potassium (2,4-dichlorophenyl)trifluoroboranuide; potassium ion (2,4-dichlorophenyl)trifluoroboranuide
• Synonyms: Potassium 2,4-dichlorophenyltrifluoroborate; Potassium (2,4-dichlorophenyl)trifluoroborate 96%; 2,4-二氯苯基三氟硼酸钾

Database IDs

• CAS Number: 192863-38-0
• MDL Number: MFCD04115745
• PubChem SID: 162081023
• PubChem CID: 23672565

CALCULATED PROPERTIES

• Molar Refractivity: 39.5878 cm^3
• Polarizability: 15.867448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1657
• LogD (pH = 7.4): 3.1657
• Log P: 3.1657

PROPERTIES

Physical Property

• Melting Point: 98-104°C; 98-104°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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: 96%