4-Cyanobenzaldehyde (C8H5NO)

4-Cyanobenzaldehyde presents a C8 framework, aromatic rings, basic nitrogen (formula C8H5NO, CAS 105-07-7). ChemicalTool Reaction can propose ranked disconnections for 4-Cyanobenzaldehyde from the SMILES N#Cc1ccc(C=O)cc1.

Target: 4-Cyanobenzaldehyde
CAS: 105-07-7
Formula: C8H5NO
Approx. MW: 131.13
SMILES: N#Cc1ccc(C=O)cc1
PubChem CID: 66042
Approx. carbons: C8

4-Cyanobenzaldehyde structure

Properties

IUPAC name: 4-formylbenzonitrile
Common names: 4-Cyanobenzaldehyde; 105-07-7; p-Cyanobenzaldehyde; Benzonitrile, 4-formyl-; p-Formylbenzonitrile; Benzaldehyde, p-cyano-; Terephthalaldehydonitrile; p-Cyanobenzenecarboxaldehyde; DWH62Y9TCA; NSC-5091
Molecular weight: 131.13
Exact mass: 131.04
InChIKey: WZWIQYMTQZCSKI-UHFFFAOYSA-N

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4-Cyanobenzaldehyde 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Cyanobenzaldehyde?

4-Cyanobenzaldehyde has molecular formula C8H5NO. Molecular weight about 131.13 g·mol⁻¹.

What is the CAS number of 4-Cyanobenzaldehyde?

The CAS Registry Number for 4-Cyanobenzaldehyde is 105-07-7.

Run AI retrosynthesis for 4-Cyanobenzaldehyde Target catalog AI tools overview

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Related targets

Similar compounds

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

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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.