potassium (3,4-dichlorophenyl)trifluoroboranuide

• ChemBase ID: 94387
• Molecular Formular: C6H3BCl2F3K
• Molecular Mass: 252.8985296
• Monoisotopic Mass: 251.9294022
• SMILES: [K+].[B-](c1cc(c(cc1)Cl)Cl)(F)(F)F
• Canonical SMILES: Clc1ccc(cc1Cl)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H3BCl2F3.K/c8-5-2-1-4(3-6(5)9)7(10,11)12;/h1-3H;/q-1;+1
• InChIKey: RTZOKQYJVLRZFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (3,4-dichlorophenyl)trifluoroboranuide
• IUPAC Traditional name: potassium ion (3,4-dichlorophenyl)trifluoroboranuide; potassium (3,4-dichlorophenyl)trifluoroboranuide
• Synonyms: Potassium (3,4-dichlorophenyl)trifluoroborate 96%; Potassium 3,4-dichlorophenyltrifluoroborate; 3,4-二氯苯基三氟硼酸钾

Database IDs

• CAS Number: 850623-68-6
• MDL Number: MFCD04115763
• PubChem SID: 162081041
• PubChem CID: 44717229

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1657
• LogD (pH = 7.4): 3.1657
• Log P: 3.1657
• Molar Refractivity: 39.5878 cm^3
• Polarizability: 15.893193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-180°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: 96%