Chemical Properties of Pyrrole-2-carbonitrile (CAS 4513-94-4)

Pyrrole-2-carbonitrile

PDF Excel Molecule Calculator
InChI
InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H
InChI Key
BQMPGKPTOHKYHS-UHFFFAOYSA-N
Formula
C5H4N2
SMILES
N#Cc1ccc[nH]1
Molecular Weight1
92.10
CAS
4513-94-4
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE [8.70; 9.08] eV Show Hide
IE 8.70 eV NIST
IE 9.08 eV NIST
log10WS -1.04 Crippen Calculated Property
logPoct/wat 0.404 Crippen Calculated Property
McVol 73.210 ml/mol McGowan Calculated Property

Similar Compounds

1H-Pyrrole, 2-methyl-. 1H-Pyrrole-2-carboxaldehyde. 1H-Pyrrole-2-carboxylic acid. Methyl pyrrole-2-carboxylate. 1H-Pyrrole,2-(1,1-dimethylethyl)-. Ethanone, 1-(1H-pyrrol-2-yl)-. 2-Pyridinecarbonitrile. 1-methyl-1H-pyrrole-2-acetonitrile. 1H-Pyrrole, 2-ethyl-. Picolinonitrile, 1-oxide. Ketone, phenyl pyrrol-2-yl. 2-Propionylpyrrole. 2-pyrrolemethyl thioacetate. 2-Pyrrolidineethanol. 1H-Pyrrole, 2,4-dimethyl-.

Find more compounds similar to Pyrrole-2-carbonitrile.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.