Description

4-Cyano-N-methoxy-N-methylbenzamide (CAS No. 116332-64-0) is a high-purity organic compound with the molecular formula C₁₀H₁₀N₂O₂. This versatile chemical features a cyano group and a methoxy-N-methylamide moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 190.20 g/mol, it is supplied as a white to off-white crystalline powder, ensuring consistent performance in demanding applications. Our product undergoes rigorous quality control, including HPLC and NMR analysis, to guarantee ≥98% purity. Ideal for researchers in medicinal chemistry, this compound is packaged under inert conditions to ensure stability and longevity. Store in a cool, dry place away from light and moisture for optimal shelf life.

Properties

• CAS Number: 116332-64-0
• Complexity: 248
• IUPAC Name: 4-cyano-N-methoxy-N-methyl-benzamide
• InChI: InChI=1S/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
• InChI Key: BZGBXNBROBZKLC-UHFFFAOYSA-N
• Exact Mass: 190.074227566
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.20
• SMILES: CN(C(=O)C1=CC=C(C=C1)C#N)OC
• Topological: 53.3
• Monoisotopic Mass: 190.074227566
• Synonyms: 4-Cyano-N-methoxy-N-methylbenzamide, 116332-64-0, DTXSID80452104, DTXCID40402923, 846-775-6, 4-Cyano-N-methoxy-N-methylbenzenecarboxamide, Benzamide, 4-cyano-N-methoxy-N-methyl-, 4-cyano-N-methoxy-N-methyl-benzamide, Benzamide,4-cyano-N-methoxy-N-methyl-, MFCD07367975, SCHEMBL286133, BZGBXNBROBZKLC-UHFFFAOYSA-N, REA33264, SBB091119, AKOS005072967, AB31533, HA-0842, AC-14385, (4-Cyanophenyl)-N-methoxy-N-methylformamide, CS-0187000, (4-cyanophenyl)-N-methoxy-N-methylcarboxamide, EN300-1228362, F1903-0219, 4-cyano-n-methoxy-n-methylbenzenecarboxamide;4-cyano-n-methoxy-n-methylbenzamide;

Application

4-Cyano-N-methoxy-N-methylbenzamide serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. It is particularly useful in the preparation of active pharmaceutical ingredients (APIs) due to its reactive cyano and amide functional groups. Researchers also utilize this compound in the development of novel heterocyclic compounds for drug discovery. Its stability and purity make it suitable for high-throughput screening and combinatorial chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (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.