5-hydroxy-1H-indole-3-carbonitrile

Base Information

• Chemical Name: 5-hydroxy-1H-indole-3-carbonitrile
• CAS No.: 197512-21-3
• Molecular Formula: C9H6 N2 O
• Molecular Weight: 158.16
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50442658
• Nikkaji Number: J1.285.542G
• Wikidata: Q82260055
• Mol file: 197512-21-3.mol

Synonyms:5-hydroxy-1H-indole-3-carbonitrile;197512-21-3;3-Cyano-5-hydroxyindole;1H-Indole-3-carbonitrile, 5-hydroxy-;MFCD07776625;SCHEMBL2006656;AMY5086;DTXSID50442658;XHA51221;5 hydroxy 1H indole 3 carbonitrile;5?hydroxy?1h?indole?3?carbonitrile;AKOS006240723;PB41666;AS-53811;CS-0050461;FT-0707725;P17153

Chemical Property of 5-hydroxy-1H-indole-3-carbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.729
• Boiling Point: 438.6°Cat760mmHg
• Flash Point: 219.1°C
• PSA: 59.81000
• Density: 1.42g/cm³
• LogP: 1.74518
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.048012819
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Hydroxy-1H-indole-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)C#N