Description

4-Chloro-2-fluoro-5-methylaniline (CAS No. 116759-33-2) is a high-purity aromatic amine derivative widely used in pharmaceutical and agrochemical research. This compound, with the molecular formula C₇H₇ClFN, is a versatile intermediate for synthesizing active pharmaceutical ingredients (APIs), dyes, and specialty chemicals. Its unique halogen-substituted structure enhances reactivity in electrophilic substitution and coupling reactions, making it invaluable for developing novel compounds. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency, stability, and low impurity levels. Suitable for lab-scale and industrial applications, it is packaged under inert conditions to ensure prolonged shelf life and optimal performance.

Properties

• CAS Number: 116759-33-2
• Complexity: 120
• IUPAC Name: 4-chloro-2-fluoro-5-methyl-aniline
• InChI: InChI=1S/C7H7ClFN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
• InChI Key: KENAMMSVUHVEOL-UHFFFAOYSA-N
• Exact Mass: 159.0251051
• Molecular Formula: C7H7ClFN
• Molecular Weight: 159.59
• SMILES: CC1=CC(=C(C=C1Cl)F)N
• Topological: 26
• Monoisotopic Mass: 159.0251051
• Synonyms: 4-chloro-2-fluoro-5-methylaniline, 116759-33-2, 2-chloro-4-fluoro-5-methyl aniline, Benzenamine, 4-chloro-2-fluoro-5-methyl-, 4-chloro-2-fluoro-5-methylbenzenamine, 4-chloro-2-fluoro-5-methyl-aniline, MFCD09062485, SCHEMBL5390700, SCHEMBL27693344, DTXSID10922148, KENAMMSVUHVEOL-UHFFFAOYSA-N, AKOS006330414, SB76381, AS-33016, DB-060923, CS-0153295

4-Chloro-2-fluoro-5-methylaniline serves as a key intermediate in the synthesis of herbicides, fungicides, and pharmaceuticals, particularly in the development of fluorinated bioactive molecules. Its reactive amino and halogen groups facilitate cross-coupling reactions (e.g., Buchwald-Hartwig amination) and heterocycle formation. Researchers also utilize it to study structure-activity relationships in drug design. Proper handling under ventilated conditions is recommended due to its potential toxicity.

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