4-Bromo-1H-indazole-3-carbonitrile

Base Information

• Chemical Name: 4-Bromo-1H-indazole-3-carbonitrile
• CAS No.: 1167055-55-1
• Molecular Formula: C8H4BrN3
• Molecular Weight: 222.04100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80694628
• Wikidata: Q82623786
• Mol file: 1167055-55-1.mol

Synonyms:4-Bromo-1H-indazole-3-carbonitrile;1167055-55-1;1H-Indazole-3-carbonitrile, 4-bromo-;4-BROMO-3-CYANO-1H INDAZOLE;DTXSID80694628;PB10941;AS-50830;P11206;A893530

Chemical Property of 4-Bromo-1H-indazole-3-carbonitrile

Chemical Property:

• Boiling Point: 425.3±25.0 °C(Predicted)
• PKA: 9.65±0.40(Predicted)
• PSA: 52.47000
• Density: 1.85±0.1 g/cm3(Predicted)
• LogP: 2.19708
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 220.95886
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-1H-indazole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)C(=NN2)C#N