potassium tetrakis(4-chlorophenyl)boranuide

• ChemBase ID: 158002
• Molecular Formular: C24H16BCl4K
• Molecular Mass: 496.10514
• Monoisotopic Mass: 493.97362331
• SMILES: [B-](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.[K+]
• Canonical SMILES: Clc1ccc(cc1)[B-](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.[K+]
• InChI: InChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
• InChIKey: SAGICZRAKJSWLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tetrakis(4-chlorophenyl)boranuide
• IUPAC Traditional name: potassium tetrakis(4-chlorophenyl)boranuide
• Synonyms: Tetrakis(4-chlorophenyl)boron potassium; Potassium tetrakis(4-chlorophenyl)borate; 四(对氯苯基)硼酸钾; 四(4-氯苯基)硼酸钾

Database IDs

• CAS Number: 14680-77-4
• EC Number: 238-723-0
• MDL Number: MFCD00043105
• Beilstein Number: 4117827
• PubChem SID: 24881923; 162252138
• PubChem CID: 23679691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.9808
• LogD (pH = 7.4): 7.9808
• Log P: 7.9808
• Molar Refractivity: 121.1164 cm^3
• Polarizability: 48.950516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; ≥98.0% (AT); 98%
• Grade: Selectophore™
• Linear Formula: (ClC6H4)4BK

DETAILS

Sigma Aldrich - 60591

General description
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Packaging
1, 5 g in glass bottle
100 mg in glass bottle
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• Tetraphenylborates cross couple with aryl halides in aqueous solutions with Pd(OAc) ₂ catalyst: Dokl. Chem., 315, 354 (1990). See also Sodium tetraphenylborate, A10909.