Description

3-Nitrobenzoyl bromide (CAS No. 13277-62-8) is a highly reactive aromatic acyl bromide derivative with the molecular formula C₇H₄BrNO₃. This compound is characterized by a nitro group positioned at the meta position relative to the benzoyl bromide functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. It is typically supplied as a crystalline solid or solution, with high purity grades (≥98%) available for sensitive applications. 3-Nitrobenzoyl bromide is moisture-sensitive and should be stored under inert conditions to prevent hydrolysis. Its reactivity makes it ideal for acylations, peptide coupling, and the synthesis of nitro-substituted aromatic compounds. Suitable for use in research laboratories, this product is packaged in amber glass vials or sealed containers to ensure stability.

Properties

• CAS Number: 13277-62-8
• Complexity: 201
• IUPAC Name: 3-nitrobenzoyl bromide
• InChI: InChI=1S/C7H4BrNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H
• InChI Key: YPLWRVLXVBKSIU-UHFFFAOYSA-N
• Exact Mass: 228.93746
• Molecular Formula: C7H4BrNO3
• Molecular Weight: 230.02
• SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Br
• Topological: 62.9
• Monoisotopic Mass: 228.93746
• Synonyms: 3-NITROBENZOYL BROMIDE, 13277-62-8, DTXSID40576017, DTXCID90526789, Benzoyl bromide, 3-nitro-, 3-nitro-benzoyl bromide, SCHEMBL2199368, YPLWRVLXVBKSIU-UHFFFAOYSA-N, DB-218171

Application

3-Nitrobenzoyl bromide is widely used as a key reagent in organic synthesis, particularly in the preparation of nitro-substituted benzamides and esters. It serves as an acylating agent in peptide chemistry and pharmaceutical intermediate synthesis. Researchers also employ it in the development of dyes, agrochemicals, and specialty polymers requiring nitro-functionalized aromatic backbones.

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