Benzoyl cyanide (C8H5NO)

Looking for routes to Benzoyl Cyanide? Benzoyl Cyanide presents a C8 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy N#CC(=O)c1ccccc1 (CAS 613-90-1).

Target: Benzoyl cyanide
CAS: 613-90-1
Formula: C8H5NO
Approx. MW: 131.13
SMILES: N#CC(=O)c1ccccc1
PubChem CID: 11953
Approx. carbons: C8

Benzoyl cyanide structure

Properties

IUPAC name: benzoyl cyanide
Common names: BENZOYL CYANIDE; 613-90-1; Phenylglyoxylonitrile; Benzoyl nitrile; Oxo(phenyl)acetonitrile; Glyoxylonitrile, phenyl-; alpha-Oxobenzeneacetonitrile; Benzeneacetonitrile, .alpha.-oxo-; alpha-oxo-alpha-tolunitrile; .alpha.-Oxobenzeneacetonitrile
Molecular weight: 131.13
Exact mass: 131.04
InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N

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Benzoyl cyanide 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzoyl cyanide?

Benzoyl cyanide has molecular formula C8H5NO. Molecular weight about 131.13 g·mol⁻¹.

What is the CAS number of Benzoyl cyanide?

The CAS Registry Number for Benzoyl cyanide is 613-90-1.

Run AI retrosynthesis for Benzoyl cyanide Target catalog AI tools overview

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Related targets

Similar compounds

4-Cyanobenzaldehyde (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine 2-(2-Chlorophenyl)ethylamine 2-(Piperazin-1-yl)pyrimidine

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References & tools

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