Description

4-Bromo-2,3-dimethylanisole (CAS No. 50638-48-7) is a high-purity aromatic compound with the molecular formula C₉H₁₁BrO. This brominated anisole derivative is characterized by its methoxy and dimethyl substitutions on the benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. With an IUPAC name of 1-bromo-4-methoxy-2,3-dimethylbenzene, this compound is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions, and is rigorously tested for quality assurance (GC/HPLC ≥98%). Ideal for use in cross-coupling reactions, functional group transformations, and as a building block in medicinal chemistry, our 4-Bromo-2,3-dimethylanisole is packaged under inert gas to ensure stability and longevity. Available in research quantities (1g to 1kg) with customizable bulk options.

Properties

• CAS Number: 50638-48-7
• Complexity: 127
• IUPAC Name: 1-bromo-4-methoxy-2,3-dimethyl-benzene
• InChI: InChI=1S/C9H11BrO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
• InChI Key: WOWNZZYJCUUIFC-UHFFFAOYSA-N
• Exact Mass: 213.99933
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• SMILES: CC1=C(C=CC(=C1C)Br)OC
• Topological: 9.2
• Monoisotopic Mass: 213.99933
• Synonyms: 4-Bromo-2,3-dimethylanisole, 50638-48-7, 1-bromo-4-methoxy-2,3-dimethylbenzene, DTXSID00372911, DTXCID00323943, 626-478-6, MFCD01652199, Benzene, 1-bromo-4-methoxy-2,3-dimethyl-, SCHEMBL1829968, WOWNZZYJCUUIFC-UHFFFAOYSA-N, 4-Bromo-2,3-dimethylanisole, 96%, AKOS004907338, CS-W014903, AS-19872, SY064484, EN300-1664830

Application

4-Bromo-2,3-dimethylanisole serves as a versatile precursor in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its bromine moiety enables participation in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) to construct biaryl systems. The electron-rich aromatic ring also facilitates electrophilic substitutions for further functionalization. Researchers utilize this compound in developing bioactive compounds and materials science applications requiring tailored aromatic frameworks.

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. 2 (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.