Description

2-Chloro-5-fluoroanisole (CAS No. 450-89-5) is a high-purity fluorinated anisole derivative with the molecular formula C₇H₆ClFO. This aromatic ether is characterized by its chloro and fluoro substituents on the benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a clear to pale-yellow liquid with a characteristic aromatic odor, and its purity is rigorously verified by GC/MS and NMR analysis. Suitable for use in Suzuki couplings, nucleophilic substitutions, and as a building block for agrochemicals and active pharmaceutical ingredients (APIs). Packaged under inert gas to ensure stability and shipped with a comprehensive Certificate of Analysis (CoA).

Properties

• CAS Number: 450-89-5
• Complexity: 110
• IUPAC Name: 1-chloro-4-fluoro-2-methoxy-benzene
• InChI: InChI=1S/C7H6ClFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
• InChI Key: ULVPJKKERHMKLS-UHFFFAOYSA-N
• Exact Mass: 160.0091207
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.57
• SMILES: COC1=C(C=CC(=C1)F)Cl
• Topological: 9.2
• Monoisotopic Mass: 160.0091207
• Synonyms: 2-Chloro-5-fluoroanisole, 450-89-5, 1-chloro-4-fluoro-2-methoxybenzene, DTXSID60369145, DTXCID70320181, 610-224-6, 1-CHLORO-4-FLUORO-2-METHOXY-BENZENE, MFCD00042573, Benzene, 1-chloro-4-fluoro-2-methoxy-, SCHEMBL524891, SCHEMBL2344135, SCHEMBL2346830, SCHEMBL2351358, ULVPJKKERHMKLS-UHFFFAOYSA-N, SBB087477, AKOS015890089, AC-3771, CS-W013268, AS-19054, BP-20180, SY050849, C2216, NS00125717, ST50405470

Application

2-Chloro-5-fluoroanisole serves as a versatile synthon in the preparation of fluorinated pharmaceuticals, particularly in the development of kinase inhibitors and antimicrobial agents. Its electron-deficient aromatic ring facilitates regioselective cross-coupling reactions in medicinal chemistry workflows. Researchers also utilize this compound as a precursor for liquid crystal materials and specialty polymers requiring halogenated aromatic motifs. Optimal for controlled functionalization under palladium-catalyzed conditions.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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