4-Chlorobenzonitrile (C7H4ClN)

4-Chlorobenzonitrile presents a C7 framework, aromatic rings, basic nitrogen (formula C7H4ClN, CAS 623-03-0). ChemicalTool Reaction can propose ranked disconnections for 4-Chlorobenzonitrile from the SMILES N#Cc1ccc(Cl)cc1.

Target: 4-Chlorobenzonitrile
CAS: 623-03-0
Formula: C7H4ClN
Approx. MW: 137.57
SMILES: N#Cc1ccc(Cl)cc1
PubChem CID: 12163
Approx. carbons: C7

4-Chlorobenzonitrile structure

Properties

Molecular weight: 137.57

View on PubChem

4-Chlorobenzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Chlorobenzonitrile?

4-Chlorobenzonitrile has molecular formula C7H4ClN. Molecular weight about 137.57 g·mol⁻¹.

What is the CAS number of 4-Chlorobenzonitrile?

The CAS Registry Number for 4-Chlorobenzonitrile is 623-03-0.

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

One click loads 4-Chlorobenzonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-Chloro-5-methylaniline 2-Chloro-6-methylaniline 3-Bromo-5-chlorobenzonitrile 3-Chloro-2-methylaniline 3-Chloro-4-methylaniline 4-(Trifluoromethoxy)benzenesulfonamide

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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.