Description

5-Amino-2-chloro-4-fluorobenzoic acid (CAS No. 172404-33-0) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₅ClFNO₂. This compound is a versatile building block in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients and intermediates. Its unique structure, featuring an amino group at the 5-position and halogen substituents (chloro and fluoro) at the 2- and 4-positions, enables selective functionalization for targeted molecular design. The product is supplied as a fine crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 172404-33-0
• Complexity: 190
• IUPAC Name: 5-amino-2-chloro-4-fluoro-benzoic acid
• InChI: InChI=1S/C7H5ClFNO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
• InChI Key: GANBUJGJERTPPV-UHFFFAOYSA-N
• Exact Mass: 188.9992843
• Molecular Formula: C7H5ClFNO2
• Molecular Weight: 189.57
• SMILES: C1=C(C(=CC(=C1N)F)Cl)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 188.9992843
• Synonyms: 5-Amino-2-chloro-4-fluorobenzoic acid, 172404-33-0, 5-Amino-2-chloro-4-fluoro-benzoic acid, MFCD17168707, SCHEMBL1786163, DTXSID20476607, GANBUJGJERTPPV-UHFFFAOYSA-N, 5-Amino-2-chloro-4-fluorobenzoicacid, AKOS012322371, SB34235, 2-Chloro-4-fluoro-5-aminobenzoic Acid, BS-27473, DB-185675, CS-0111951, D77050, EN300-1254735

Application

5-Amino-2-chloro-4-fluorobenzoic acid serves as a key intermediate in the synthesis of biologically active compounds, including potential antimicrobial and antitumor agents. Its halogenated aromatic structure makes it valuable for Suzuki-Miyaura cross-coupling reactions in medicinal chemistry. Researchers also utilize it to develop fluorescent probes and dyes due to its electron-withdrawing substituents. The compound’s reactivity allows for further derivatization at the carboxyl, amino, or halogen sites.

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