5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile
• CAS No.: 76767-44-7
• Molecular Formula: C10H6BrN3
• Molecular Weight: 248.07874
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70514028
• Wikidata: Q72511246
• Mol file: 76767-44-7.mol

Synonyms:5-BROMO-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE;76767-44-7;5-BROMO-1-PHENYLPYRAZOLE-4-CARBONITRILE;SCHEMBL10683662;DTXSID70514028;AMY11962;MFCD17168485;AKOS015901464;AC-30561;AS-77420;A9729;CS-0156135;FT-0711912;EN300-267805;F17265;J-516821

Chemical Property of 5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Melting Point: 115-116 °C
• Boiling Point: 385.9 °C at 760 mmHg
• Flash Point: 187.2 °C
• PSA: 41.61000
• Density: 1.53 g/cm³
• LogP: 2.50648
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 246.97451
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C#N)Br