4-(1H-Pyrrol-1-yl)benzonitrile structure

4-(1H-Pyrrol-1-yl)benzonitrile

4-pyrrol-1-ylbenzonitrile

Also Known As: 4-(1H-Pyrrol-1-yl)benzonitrile|1-(4-Cyanophenyl)pyrrole|4-pyrrol-1-ylbenzonitrile|N-(4-Cyanophenyl)pyrrole|4-(1-pyrrolyl)benzonitrile|4- BENZONITRILE|4-(pyrrol-1-yl)benzonitrile|ACMC-1CEKP|Maybridge1_001756|Benzonitrile, 4-(1H-pyrrol-1-yl)-|p-(1-Pyrrolyl)benzonitrile|1-(4-cyanophenyl)-pyrrole|4-pyrrolylbenzenecarbonitrile|Benzonitrile, 4-(pyrrol-1-yl)-|4-(1-pyrrolyl)-benzonitrile|1-(4-Cyanophenyl)-1H-pyrrole|HMS546H18|1-(P-CYANOPHENYL)PYRROLE|4-(N-PYRROLO)BENZONITRILE|p-(1H-Pyrrole-1-yl)benzonitrile|ZERO/005182|4-(1H-Pyrrole-1-yl)-benzonitrile|BENZONITRILE, P-PYRROL-1-YL-|4-(1H-pyrrol-1-yl)benzenecarbonitrile|MS-3208|KS-000028B9

CAS: 234-77-5
Molecular Formula C11H8N2
Molecular Weight 168.06874 g/mol
LogP 2.8
Topological Polar Surface Area 28.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 1
Exact Mass 168.06874
Monoisotopic Mass 168.06874
Heavy Atoms 13
Complexity 201.0

Chemical Identifiers

CAS Number 234-77-5
SMILES C1=CN(C=C1)C2=CC=C(C=C2)C#N
InChIKey OKVSZRKKRHNDOL-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (37 patents) Organic Building Blocks (12 patents) Pharmaceutical Intermediates (2 patents)

Product Overview

4-(1H-Pyrrol-1-yl)benzonitrile (CAS 234-77-5), with molecular formula C11H8N2 and molecular weight 168.06874 g/mol. IUPAC: 4-pyrrol-1-ylbenzonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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