Description

N-Acetoxy-N-chloro-4-nitrobenzamide (CAS: 2991507-62-9) is a specialized organic compound with the molecular formula C₉H₇ClN₂O₅ and the IUPAC name [chloro-(4-nitrobenzoyl)amino] acetate. This high-purity reagent is designed for advanced chemical synthesis and research applications, particularly in the fields of medicinal chemistry and organic transformations. The compound features a unique combination of reactive functional groups, including an acetoxy-chloroamine moiety and a nitro-substituted benzamide structure, making it a valuable intermediate for heterocyclic synthesis and electrophilic reactions. Our product is rigorously tested for purity and stability, ensuring reliable performance in demanding laboratory conditions. Each batch is supplied with comprehensive analytical data (NMR, HPLC, MS) to support your research needs.

Properties

• CAS Number: 2991507-62-9
• Complexity: 322
• IUPAC Name: [chloro-(4-nitrobenzoyl)amino] acetate
• InChI: InChI=1S/C9H7ClN2O5/c1-6(13)17-11(10)9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3
• InChI Key: VYVBRRZEOYZZHX-UHFFFAOYSA-N
• Exact Mass: 258.0043490
• Molecular Formula: C9H7ClN2O5
• Molecular Weight: 258.61
• SMILES: CC(=O)ON(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl
• Topological: 92.4
• Monoisotopic Mass: 258.0043490
• Synonyms: N-Acetoxy-N-chloro-4-nitrobenZamide, 2991507-62-9

Application

N-Acetoxy-N-chloro-4-nitrobenzamide serves as a versatile building block in organic synthesis, particularly for the preparation of nitrogen-containing heterocycles. Researchers utilize this compound as an electrophilic chlorinating agent in the synthesis of novel pharmaceutical intermediates. Its reactive N-chloroacetoxy group enables selective transformations in medicinal chemistry applications, including potential antibiotic development. The nitro substituent enhances reactivity for nucleophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.