Description

Methyl 5-amino-2-chloro-4-fluorobenzoate (CAS No. 141772-31-8) is a high-purity benzoate ester derivative with the molecular formula C₈H₇ClFNO₂. This fine chemical is characterized by its amino, chloro, and fluoro substituents, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its crystalline form ensures consistent reactivity and handling, ideal for precision applications. Suitable for research and industrial use, this compound is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and stability under recommended storage conditions (2-8°C in a dry, inert atmosphere). Available in scalable quantities from milligrams to kilograms, it is packaged under nitrogen to prevent degradation.

Properties

• CAS Number: 141772-31-8
• Complexity: 203
• IUPAC Name: methyl 5-amino-2-chloro-4-fluoro-benzoate
• InChI: InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
• InChI Key: GRQLIRSFYJTUQR-UHFFFAOYSA-N
• Exact Mass: 203.0149343
• Molecular Formula: C8H7ClFNO2
• Molecular Weight: 203.60
• SMILES: COC(=O)C1=CC(=C(C=C1Cl)F)N
• Topological: 52.3
• Monoisotopic Mass: 203.0149343
• Synonyms: Methyl 5-amino-2-chloro-4-fluorobenzoate, 141772-31-8, 5-Amino-2-chloro-4-fluoro-benzoic acid methyl ester, Benzoic acid, 5-amino-2-chloro-4-fluoro-, methyl ester, 2-fluoro-4-chloro-5-methoxycarbonylaniline, MFCD17168708, SCHEMBL3528669, DTXSID10441400, GRQLIRSFYJTUQR-UHFFFAOYSA-N, AKOS012322561, DS-5865, SB33483, Methyl5-amino-2-chloro-4-fluorobenzoate, DB-188075, CS-0098660, O11946, EN300-3102230, Z1079174412

Application

Methyl 5-amino-2-chloro-4-fluorobenzoate serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates. It is employed in cross-coupling reactions to construct complex heterocycles in medicinal chemistry. The compound’s reactive amino and ester groups also make it valuable for agrochemical research, such as developing novel herbicides or fungicides. Researchers utilize it in peptide coupling and as a precursor for fluorinated dyes or sensors.

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