ammonium tetrakis(4-chlorophenyl)boranuide

• ChemBase ID: 149258
• Molecular Formular: C24H20BCl4N
• Molecular Mass: 475.0453
• Monoisotopic Mass: 473.04429077
• SMILES: [B-](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.[NH4+]
• Canonical SMILES: Clc1ccc(cc1)[B-](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.[NH4+]
• InChI: InChI=1S/C24H16BCl4.H3N/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;1H3/q-1;/p+1
• InChIKey: FQYFKFDZPWJRQL-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium tetrakis(4-chlorophenyl)boranuide
• IUPAC Traditional name: ammonium tetrakis(4-chlorophenyl)boranuide
• Synonyms: Ammonium tetrakis(4-chlorophenyl)borate; 四(4-氯苯基)硼酸铵

Database IDs

• CAS Number: 215857-51-5
• MDL Number: MFCD00674026
• PubChem SID: 162243426; 24869069
• PubChem CID: 16212974

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: 250 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Linear Formula: NH4B(C6H4Cl)4

DETAILS

Sigma Aldrich - 455423

Packaging
10 g in glass bottle