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TCI

CAS 939-80-0

4-Chloro-3-nitrobenzonitrile TCI C1548

4-Chloro-3-nitrobenzonitrile TCI C1548

Chemical Identity

CAS No.
939-80-0
PubChem
CID 13655·SID 87566545
Formula
C7H3ClN2O2
Molecular weight
182.56 g/mol
Purity
>98.0%(GC)
Reference databases
ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
4-chloro-3-nitrobenzonitrile
SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
InChIKey
XBLPHYSLHRGMNW-UHFFFAOYSA-N
MDL
MDL00016987
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TCI C1548 4-Chloro-3-nitrobenzonitrile is a trifunctional aromatic building block bearing nitrile, nitro, and aryl chloride groups on a single benzene ring. The activating nitro substituent makes the adjacent chlorine highly susceptible to nucleophilic aromatic substitution, allowing controlled introduction of amines, alkoxides, and thiolates. The retained nitrile provides a convenient handle for further conversion into amides, carboxylic acids, amidines, or tetrazoles, while nitro reduction opens routes to benzimidazoles and related heterocycles. AMI Scientific offers this TCI reagent in 5 g and 25 g packs for research, medicinal chemistry, and industrial R&D laboratories.

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