3,4,5-tribromo-1-(4-nitrophenyl)-1H-pyrazole

Base Information

• Chemical Name: 3,4,5-tribromo-1-(4-nitrophenyl)-1H-pyrazole
• CAS No.: 175135-29-2
• Molecular Formula: C9H4 Br3 N3 O2
• Molecular Weight: 425.86
• DSSTox Substance ID: DTXSID40379106
• Wikidata: Q82168767
• Mol file: 175135-29-2.mol

Synonyms:175135-29-2;3,4,5-tribromo-1-(4-nitrophenyl)-1H-pyrazole;3,4,5-tribromo-1-(4-nitrophenyl)pyrazole;1H-Pyrazole, 3,4,5-tribromo-1-(4-nitrophenyl)-;1H-Pyrazole,3,4,5-tribromo-1-(4-nitrophenyl)-;DTXSID40379106;AKOS015912394;FT-0614126

Chemical Property of 3,4,5-tribromo-1-(4-nitrophenyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 4.59E-09mmHg at 25°C
• Melting Point: 144 °C
• Boiling Point: 484.3°Cat760mmHg
• PKA: -6.51±0.10(Predicted)
• Flash Point: 246.7°C
• PSA: 63.64000
• Density: 2.37g/cm³
• LogP: 4.59120
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 424.78331
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

98%min ^*data from raw suppliers

3,4,5-TRIBROMO-1-(4-NITROPHENYL)-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=C(C(=N2)Br)Br)Br)[N+](=O)[O-]