2,4-Cyclohexadien-1-one, 4-hydroxy-6-(triphenylphosphoranylidene)-

Base Information

• Chemical Name: 2,4-Cyclohexadien-1-one, 4-hydroxy-6-(triphenylphosphoranylidene)-
• CAS No.: 50651-56-4
• Molecular Formula: C24H19O2P
• Molecular Weight: 370.38000
• NSC Number: 5196
• DSSTox Substance ID: DTXSID60402682,DTXSID70968880
• Nikkaji Number: J1.642.440D
• Wikidata: Q82206140
• Mol file: 50651-56-4.mol

Synonyms:50651-56-4;4-hydroxy-6-(triphenylphosphoranylidene)cyclohexa-2,4-dienone;2,4-Cyclohexadien-1-one, 4-hydroxy-6-(triphenylphosphoranylidene)-;SCHEMBL9352626;SCHEMBL21433905;SCHEMBL24062634;DTXSID60402682;DTXSID70968880;NSC-5196;AKOS024419118;4-Hydroxy-2-(triphenylphosphonio)phenolate;CS-0377926;2-(Triphenylphosphonio)-4-hydroxyphenol anion;4-Hydroxy-2-(triphenylphosphaniumyl)phenolate;F71315

Chemical Property of 2,4-Cyclohexadien-1-one, 4-hydroxy-6-(triphenylphosphoranylidene)-

Chemical Property:

• Melting Point: >260 °C (decomp)
• Boiling Point: 540.4±60.0 °C(Predicted)
• PSA: 47.11000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 3.73370
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 370.11226684
• Heavy Atom Count: 27
• Complexity: 602

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(=C2C=C(C=CC2=O)O)(C3=CC=CC=C3)C4=CC=CC=C4

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