Description

4-Fluoro-N-methoxy-N-methylbenzamide (CAS: 116332-54-8) is a high-purity synthetic organic compound with the molecular formula C₉H₁₀FNO₂. This versatile reagent is widely utilized in pharmaceutical research, agrochemical development, and material science due to its unique structural properties. The compound features a fluorinated benzamide core with methoxy and methyl substituents on the amide nitrogen, enabling selective reactivity in coupling reactions and as a building block for complex molecules. Supplied as a white to off-white crystalline powder, it is characterized by exceptional stability under standard laboratory conditions. Our product is rigorously tested via HPLC, GC-MS, and NMR to ensure >98% purity, making it ideal for demanding applications in medicinal chemistry and process optimization. Each batch is accompanied by comprehensive analytical documentation including COA, MSDS, and spectral data for traceability and compliance.

Properties

• CAS Number: 116332-54-8
• Complexity: 178
• IUPAC Name: 4-fluoro-N-methoxy-N-methyl-benzamide
• InChI: InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
• InChI Key: DSUFRPVVBZLHPI-UHFFFAOYSA-N
• Exact Mass: 183.06955672
• Molecular Formula: C9H10FNO2
• Molecular Weight: 183.18
• SMILES: CN(C(=O)C1=CC=C(C=C1)F)OC
• Topological: 29.5
• Monoisotopic Mass: 183.06955672
• Synonyms: 4-FLUORO-N-METHOXY-N-METHYLBENZAMIDE, 116332-54-8, DTXSID00555388, DTXCID80506171, 820-825-7, Benzamide, 4-fluoro-N-methoxy-N-methyl-, MFCD02179265, 4-fluoro-N-methoxy-N-methyl-benzamide, N-methoxy-N-methyl-4-fluorobenzamide, SCHEMBL306600, DSUFRPVVBZLHPI-UHFFFAOYSA-N, 4-Fluoro-N-methoxy-N-metylbenzamide, AB9349, N-methoxy-N-methyl 4-fluorobenzamide, n-methyl,n-methoxy-4-fluorobenzamide, n-methyl-n-methoxy-4-fluorobenzamide, AKOS008952917, GS-6370, MB02288, DA-15137, SY022915, CS-0042878, F1194, EN300-202846, Z54739555

4-Fluoro-N-methoxy-N-methylbenzamide serves as a key intermediate in Suzuki-Miyaura cross-coupling reactions for biaryl synthesis. It is particularly valuable in the preparation of fluorinated pharmaceutical compounds where the Weinreb amide moiety enables controlled ketone formation. Researchers employ this compound in peptidomimetic studies and as a precursor for kinase inhibitor development. Its stability makes it suitable for multi-step synthetic routes in both academic and industrial settings.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.