Description

Methyl 4-fluoro-3-nitrobenzoate (CAS No. 329-59-9) is a high-purity organic compound with the molecular formula C₈H₆FNO₄. This aromatic ester is widely used as a key intermediate in pharmaceutical synthesis, agrochemical research, and material science applications. Its unique structure, featuring both a fluorine substituent and a nitro group on the benzoate ring, makes it a versatile building block for further chemical modifications. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied in sealed, light-resistant packaging to maintain stability. Available in quantities ranging from grams to kilograms, this compound is ideal for research and development purposes.

Key Features:
– High chemical purity (>98% by HPLC)
– Optimal for nucleophilic substitution reactions
– Compatible with Suzuki-Miyaura and other cross-coupling reactions
– Suitable for fluorinated compound libraries
– Stable under inert atmosphere

Properties

• CAS Number: 329-59-9
• Complexity: 240
• IUPAC Name: methyl 4-fluoro-3-nitro-benzoate
• InChI: InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
• InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N
• Exact Mass: 199.02808583
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.14
• SMILES: COC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• Topological: 72.1
• Monoisotopic Mass: 199.02808583
• Synonyms: Methyl 4-fluoro-3-nitrobenzoate, 329-59-9, DTXSID00410923, DTXCID10361775, 683-872-0, Methyl 4-fluoro-3-nitro-benzoate, MFCD00196161, 4-fluoro-3-nitrobenzoic acid methyl ester, 4-fluoro-3-nitro-benzoic acid methyl ester, Benzoic acid, 4-fluoro-3-nitro-, methyl ester, METHYL4-FLUORO-3-NITROBENZOATE, SCHEMBL31493, methyl 4-fluoro-3 nitrobenzoate, CNJJSTPBUHAEFH-UHFFFAOYSA-N, 4-carbomethoxy-2-nitrofluorobenzene, SBB092417, STL194103, AKOS000779333, CS-W004731, GS-3329, PB42554, BP-11729, SY002058, 3-Nitro-4-fluoro-benzoic acid methyl ester, DB-007683, M2535, ST50336370, VU0612247-1, EN300-138567, 4-Fluoro-3-nitrobenzenecarboxylic acid, methyl ester, F3358-0070

Methyl 4-fluoro-3-nitrobenzoate serves as a crucial precursor in medicinal chemistry for developing fluorinated drug candidates. Researchers utilize its reactive nitro group for subsequent reduction to amines or conversion to other functional groups. The compound finds particular use in synthesizing protease inhibitors and kinase-targeted therapeutics. Its fluorine atom enhances bioavailability in pharmaceutical intermediates while the ester group allows straightforward derivatization.

Safety and Hazards

GHS Hazard Statements

• H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (92.9%)

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