1-(4-Methylphenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone

Base Information

• Chemical Name: 1-(4-Methylphenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone
• CAS No.: 5938-34-1
• Molecular Formula: C17H11ClO5
• Molecular Weight: 139.582
• DSSTox Substance ID: DTXSID30353394
• Nikkaji Number: J565.876D
• Wikidata: Q82130974
• ChEMBL ID: CHEMBL1740019
• Mol file: 5938-34-1.mol

Synonyms:58905-20-7;1-(4-METHYLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE;1-(4-methylphenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone;1-(p-Tolyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one;Cambridge id 5563045;IFLab1_000894;SCHEMBL6558375;CHEMBL1740019;DTXSID30353394;ZFWAVFITNQYLMB-UHFFFAOYSA-N;HMS1414I14;STL325429;AKOS009096714;CCG-103282;FT-0640565;1-p-tolyl-2-(1H-1,2,4-triazol-1-yl)ethanone;2-(1,2,4-triazol-1- yl)-4'-methylacetophenone;1-(4-methylphenyl)-2-[1,2,4]triazol-1-yl-ethanone;1-(4-methylphenyl)-2-(1h-1,2,4-triazole-1-yl)ethanone

Chemical Property of 1-(4-Methylphenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone

Chemical Property:

• Vapor Pressure: 1.4E-12mmHg at 25°C
• Boiling Point: 542°C at 760 mmHg
• Flash Point: 281.6°C
• PSA: 47.78000
• Density: 1.461g/cm³
• LogP: 1.46940
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CN2C=NC=N2