Description

1-Bromo-4-chloro-2-methoxybenzene (CAS No. 174913-09-8) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrClO. This crystalline solid is a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. With a molecular weight of 221.48 g/mol, it features reactive bromo and chloro substituents on a methoxy-substituted benzene ring, enabling selective functionalization. Our product is rigorously tested via GC/HPLC to ensure ≥98% purity, packaged under inert gas to prevent degradation. Ideal for Suzuki couplings, nucleophilic substitutions, and as a building block for advanced materials. Available in research (5g-100g) and bulk (1kg+) quantities with optional COA/MSDS documentation.

Properties

• CAS Number: 174913-09-8
• Complexity: 110
• IUPAC Name: 1-bromo-4-chloro-2-methoxy-benzene
• InChI: InChI=1S/C7H6BrClO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
• InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N
• Exact Mass: 219.92906
• Molecular Formula: C7H6BrClO
• Molecular Weight: 221.48
• SMILES: COC1=C(C=CC(=C1)Cl)Br
• Topological: 9.2
• Monoisotopic Mass: 219.92906
• Synonyms: 174913-09-8, 1-Bromo-4-chloro-2-methoxybenzene, DTXSID50591938, DTXCID90542702, 605-744-5, 2-BROMO-5-CHLOROANISOLE, Benzene, 1-bromo-4-chloro-2-methoxy-, MFCD03790889, SCHEMBL585492, SCHEMBL27695180, SCHEMBL28759377, SCHEMBL28821414, 2-methoxy-4-chloro-1-bromobenzene, CL8587, SBB059051, AKOS015890236, CS-W019965, PS-7848, AC-25961, SY018959, DB-030828, B3646, ST50408675, EN300-249109

Application

1-Bromo-4-chloro-2-methoxybenzene serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for antiviral and anticancer compounds. It is widely employed in palladium-catalyzed cross-coupling reactions to construct biaryl systems in medicinal chemistry. The compound also finds use in agrochemical research for developing novel pesticides and herbicides. Its orthogonal halogen substituents allow sequential functionalization in complex molecule assembly.

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]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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