2-(Benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone

Base Information

• Chemical Name: 2-(Benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone
• CAS No.: 5272-13-9
• Molecular Formula: C14H10N4O3
• Molecular Weight: 282.2542
• DSSTox Substance ID: DTXSID00350375
• Wikidata: Q82126284
• ChEMBL ID: CHEMBL1529996
• Mol file: 5272-13-9.mol

Synonyms:2-(benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone;CHEMBL1529996;2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-nitrophenyl)ethan-1-one;5272-13-9;Benzotriazole ester, 13;CBKinase1_000019;CBKinase1_012419;Cambridge id 5272139;163729-30-4;MLS000709134;BDBM59245;DTXSID00350375;HMS2764L06;BDBM50363622;STK388782;AKOS000736072;WAY-217189;SMR000283001;EU-0044760;EN300-26866969;SR-01000492272;SR-01000492272-1;2-(1H-benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone;BRD-K11097920-001-01-3;Z56832535

Chemical Property of 2-(Benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone

Chemical Property:

• Vapor Pressure: 6.07E-11mmHg at 25°C
• Boiling Point: 520.7°C at 760 mmHg
• Flash Point: 268.7°C
• Density: 1.44g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 282.07529019
• Heavy Atom Count: 21
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]