Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-

Base Information

• Chemical Name: Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
• CAS No.: 119228-57-8
• Molecular Formula: C22H15 N5 O6 S
• Molecular Weight: 477.4494
• DSSTox Substance ID: DTXSID40152350
• Wikidata: Q83018971
• Mol file: 119228-57-8.mol

Synonyms:4-((5-(3,5-Dinitrophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)benzoic acid;Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-;119228-57-8;DTXSID40152350;LS-37305

Chemical Property of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-

Chemical Property:

• Vapor Pressure: 9.65E-23mmHg at 25°C
• Boiling Point: 736°Cat760mmHg
• Flash Point: 398.9°C
• Density: 1.53g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 477.07430439
• Heavy Atom Count: 34
• Complexity: 725

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SC3=CC=C(C=C3)C(=O)O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]