Description

2-Bromo-1,3,5-trimethoxybenzene (CAS No. 1131-40-4) is a high-purity aromatic compound with the molecular formula C₉H₁₁BrO₃. This organobromine derivative features a benzene ring substituted with three methoxy groups (–OCH₃) and a bromine atom at the 2-position, offering unique reactivity for electrophilic substitutions and cross-coupling reactions. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, this compound is supplied as a crystalline solid with ≥98% purity (HPLC). Its stability under inert conditions and solubility in common organic solvents (e.g., DCM, THF) make it a versatile building block for Suzuki-Miyaura couplings and other palladium-catalyzed transformations. Packaged in amber glass vials under nitrogen to ensure longevity, this product is tailored for precision applications in medicinal chemistry and advanced organic synthesis.

Properties

• CAS Number: 1131-40-4
• Complexity: 140
• IUPAC Name: 2-bromo-1,3,5-trimethoxy-benzene
• InChI: InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
• InChI Key: BPWYNWSOQOXOPI-UHFFFAOYSA-N
• Exact Mass: 245.98916
• Molecular Formula: C9H11BrO3
• Molecular Weight: 247.09
• SMILES: COC1=CC(=C(C(=C1)OC)Br)OC
• Topological: 27.7
• Monoisotopic Mass: 245.98916
• Synonyms: 2-Bromo-1,3,5-trimethoxybenzene, 1131-40-4, 2,4,6-Trimethoxybromobenzene, Benzene, 2-bromo-1,3,5-trimethoxy-, EINECS 214-464-9, NSC 151970, DTXSID4061547, DTXCID2033314, 214-464-9, bpwynwsoqoxopi-uhfffaoysa-n, 1-Bromo-2,4,6-trimethoxybenzene, Bromophloroglucinol trimethyl ether, 1-Bromo-2,4,6-trimethoxy-benzene, MFCD00040757, NSC-151970, 2-Bromo-1,3,5-trimethoxy-benzene, NSC151970, Q29UM2QW7C, 2-Bromo-1,5-trimethoxybenzene, SCHEMBL1203850, 2-bromo-1,3,5-trimethoxy benzene, STK006466, AKOS000194061, DS-3006, FB68031, FS-1193, AC-20573, ST054816, SY063187, DB-041149, CS-0059229, NS00023675, A10230, EN300-152541, AB-016/30008003

Application

2-Bromo-1,3,5-trimethoxybenzene serves as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical research where its bromine moiety enables palladium-catalyzed cross-coupling reactions. It is utilized in the development of agrochemicals and specialty materials due to its electron-rich aromatic system. Researchers also employ it as a scaffold for designing ligands in catalysis or fluorescent probes. Its trimethoxy substitution pattern enhances steric and electronic tuning in molecular design.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (66.7%)

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