4-Chloro-3-nitrobenzoic Acid TCI C0223

Chemical Identity

CAS No.: 96-99-1
PubChem: CID 7320·SID 87565385
Formula: C7H4ClNO4
Molecular weight: 201.56 g/mol
Purity: >98.0%(GC)(T)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 4-chloro-3-nitrobenzoic acid
SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N
MDL: MDL00007079

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TCI C0223, 4-chloro-3-nitrobenzoic acid (CAS 96-99-1), carries a carboxylic acid, a nitro group, and an activated aryl chloride on a single ring, making it a favourite building block for nitrogen heterocycle synthesis. A typical sequence couples the acid to an amine, displaces the chloride under SNAr conditions, then reduces the nitro group to trigger cyclisation toward benzimidazole or quinazolinone cores. The three orthogonal handles make it especially well suited to stepwise, controlled library construction. AMI Scientific offers 25 g and 500 g packs; please consult the official TCI product data sheet and SDS for specifications and handling precautions.