Description

4-Chloro-3,5-dinitrobenzamide (CAS No. 20731-63-9) is a high-purity nitroaromatic compound with the molecular formula C₇H₄ClN₃O₅. This yellow crystalline powder is a versatile intermediate in organic synthesis, particularly in the development of agrochemicals, pharmaceuticals, and specialty chemicals. With a molecular weight of 245.58 g/mol, it features both chloro and nitro functional groups, making it a valuable precursor for nucleophilic substitution and reduction reactions. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with full analytical documentation, including ¹H NMR and LC-MS spectra. Suitable for research-scale applications, it is packaged under inert atmosphere in amber glass vials to ensure stability.

Properties

• CAS Number: 20731-63-9
• Complexity: 301
• IUPAC Name: 4-chloro-3,5-dinitro-benzamide
• InChI: InChI=1S/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12)
• InChI Key: XIYABENEBOSULF-UHFFFAOYSA-N
• Exact Mass: 244.9839479
• Molecular Formula: C7H4ClN3O5
• Molecular Weight: 245.58
• SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)N
• Topological: 135
• Monoisotopic Mass: 244.9839479
• Synonyms: 4-Chloro-3,5-dinitrobenzamide, 20731-63-9, EINECS 243-998-5, DTXSID70174803, NSC 76582, DTXCID5097294, 243-998-5, Benzamide, 4-chloro-3,5-dinitro-, NSC-76582, C7H4ClN3O5, NSC76582, 4-CHLORO-3,5-DINITROBENZ-AMIDE, WP9P28GYV2, SCHEMBL6570802, STK395738, AKOS005434470, FC70960, CS-0360355, NS00026723, ST50545318

Application

4-Chloro-3,5-dinitrobenzamide serves as a key intermediate in the synthesis of herbicidal compounds, particularly for crop protection agents targeting broadleaf weeds. Researchers utilize its reactive nitro groups for the development of novel sulfonylurea-class herbicides. In medicinal chemistry, it has been explored as a scaffold for antimicrobial agents due to its electrophilic aromatic substitution potential. The compound’s chlorine moiety also enables cross-coupling reactions in catalyst-driven organic transformations.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)

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