Description

4-Methyl-3-nitrobenzamide (CAS No. 19013-11-7) is a high-purity nitro-substituted benzamide derivative with the molecular formula C₈H₈N₂O₃. This compound features a methyl group at the para position and a nitro group at the meta position relative to the carboxamide functionality, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its crystalline form and well-defined structure ensure consistent performance in synthetic applications. Ideal for researchers requiring precise electrophilic or nucleophilic aromatic substitution reactions, this product is rigorously tested for purity (typically ≥95-98% by HPLC) and is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 19013-11-7
• Complexity: 224
• IUPAC Name: 4-methyl-3-nitro-benzamide
• InChI: InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
• InChI Key: YEUGEQUFPMJGCD-UHFFFAOYSA-N
• Exact Mass: 180.05349212
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.16
• SMILES: CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]
• Topological: 88.9
• Monoisotopic Mass: 180.05349212
• Synonyms: 4-Methyl-3-nitrobenzamide, Benzamide, 4-methyl-3-nitro-, EINECS 242-752-4, DTXSID6066446, DTXCID6035994, 242-752-4, 19013-11-7, 3-Nitro-4-methylbenzamide, Benzamide,4-methyl-3-nitro-, Oprea1_473457, SCHEMBL1086346, SCHEMBL6924189, MFCD00027392, SBB063334, STK792340, AKOS001717411, FM70454, AC-10268, DB-044729, CS-0360458, NS00026218, ST50408362, E89346, SR-01000512117, SR-01000512117-1

Application

4-Methyl-3-nitrobenzamide serves as a versatile building block in medicinal chemistry, particularly in the synthesis of heterocyclic compounds and pharmacophores. Its nitro group facilitates reduction to amino derivatives for further functionalization in drug discovery pipelines. Researchers utilize this compound in the development of enzyme inhibitors and agrochemical intermediates due to its electron-withdrawing properties. It is also employed in material science for designing nitroaromatic-based polymers and ligands.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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