2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate

Base Information

• Chemical Name: 2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate
• CAS No.: 121792-58-3
• Molecular Formula: C29H19 Cl2 N O
• Molecular Weight: 468.37
• European Community (EC) Number: 635-019-9
• DSSTox Substance ID: DTXSID70399438
• Wikidata: Q82202013
• Mol file: 121792-58-3.mol

Synonyms:2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate;121792-58-3;2,6-dichloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate;SCHEMBL159572;DTXSID70399438;UTXYWXPNUCOENT-UHFFFAOYSA-N;MFCD00239417;AS-82444;D96028

Chemical Property of 2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate

Chemical Property:

• PSA: 25.46000
• LogP: 7.97840
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 467.0843696
• Heavy Atom Count: 33
• Complexity: 558

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)[O-])Cl)C5=CC=CC=C5
• Uses: 2,6-Dichloro-4-(2,4,6-triphenyl-1-pyridinio)phenolate is used in molecular dynamics modelling of location character of solvatochromic betaine dyes of different hydrophobicity in ionic surfactant micelles. It is also useful for solution phase and vapochromic detection of amines.