4-bromo-1H-indole-3-carbonitrile

Base Information

• Chemical Name: 4-bromo-1H-indole-3-carbonitrile
• CAS No.: 903131-13-5
• Molecular Formula: C9H5 Br N2
• Molecular Weight: 221.056
• Hs Code.: 2933990090
• European Community (EC) Number: 851-725-1
• DSSTox Substance ID: DTXSID90376827
• Wikidata: Q82165736
• Mol file: 903131-13-5.mol

Synonyms:4-bromo-1H-indole-3-carbonitrile;4-Bromo-3-cyanoindole;903131-13-5;SCHEMBL2302684;DTXSID90376827;PMIGAISGWPTELT-UHFFFAOYSA-N;BCP10984;MFCD07787361;AKOS022977879;AS-39208;CS-0136261;FT-0699184;A860847;A1-09438

Chemical Property of 4-bromo-1H-indole-3-carbonitrile

Chemical Property:

• Boiling Point: 405.9±25.0 °C(Predicted)
• PKA: 13.68±0.30(Predicted)
• PSA: 39.58000
• Density: 1.74±0.1 g/cm3(Predicted)
• LogP: 2.80208
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 219.96361
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-cyanoindole ^*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(=CN2)C#N