1-(2-Cyanoethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-(2-Cyanoethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 6554-34-3
• Molecular Formula: C13H11N3O2
• Molecular Weight: 241.2453
• DSSTox Substance ID: DTXSID30368145
• Wikidata: Q82154494
• Mol file: 6554-34-3.mol

Synonyms:1-(2-Cyanoethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid;6554-34-3;Enamine_001616;DTXSID30368145;HMS1398J10;AKOS001011833;SR-01000287276;SR-01000287276-1;Z56805146

Chemical Property of 1-(2-Cyanoethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.38E-10mmHg at 25°C
• Boiling Point: 473.1°Cat760mmHg
• Flash Point: 239.9°C
• Density: 1.25g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 241.085126602
• Heavy Atom Count: 18
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N