Phenylacetonitrile (C8H7N)

Phenylacetonitrile presents a C8 framework, aromatic rings, basic nitrogen (formula C8H7N, CAS 140-29-4). ChemicalTool Reaction can propose ranked disconnections for Phenylacetonitrile from the SMILES N#CCc1ccccc1.

Target: Phenylacetonitrile
CAS: 140-29-4
Formula: C8H7N
Approx. MW: 117.15
SMILES: N#CCc1ccccc1
PubChem CID: 8794
Approx. carbons: C8

Phenylacetonitrile structure

Properties

Molecular weight: 117.15

View on PubChem

Phenylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Phenylacetonitrile?

Phenylacetonitrile has molecular formula C8H7N. Molecular weight about 117.15 g·mol⁻¹.

What is the CAS number of Phenylacetonitrile?

The CAS Registry Number for Phenylacetonitrile is 140-29-4.

Run AI retrosynthesis for Phenylacetonitrile Target catalog AI tools overview

Open the planner with Phenylacetonitrile preloaded, then keep routes that match CAS 140-29-4.

Related targets

Similar compounds

m-Tolunitrile o-Tolunitrile p-Tolunitrile (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.