Description

1-Bromo-4-(tert-butoxy)benzene (CAS No. 60876-70-2) is a high-purity aromatic compound with the molecular formula C₁₀H₁₃BrO. This specialized chemical, also known by its IUPAC name 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene, is widely utilized in organic synthesis and pharmaceutical research due to its unique structural properties. The tert-butoxy group enhances steric hindrance, making it valuable for controlled reactions. Our product is rigorously tested for purity (typically ≥95-98% by GC/HPLC) and is supplied in sealed, light-resistant containers to ensure stability. Ideal for Suzuki couplings, nucleophilic substitutions, and as a precursor for advanced intermediates.

Properties

• CAS Number: 60876-70-2
• Complexity: 131
• IUPAC Name: 1-bromo-4-tert-butoxy-benzene
• InChI: InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
• InChI Key: QIWQHUCUWNGYDZ-UHFFFAOYSA-N
• Exact Mass: 228.01498
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.11
• SMILES: CC(C)(C)OC1=CC=C(C=C1)Br
• Topological: 9.2
• Monoisotopic Mass: 228.01498
• Synonyms: 1-Bromo-4-(tert-butoxy)benzene, 60876-70-2, DTXSID20377221, DTXCID30328249, 641-192-1, 1-Bromo-4-tert-butoxybenzene, 4-TERT-BUTOXYBROMOBENZENE, 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene, 1-Bromo-4-tert-butoxy-benzene, MFCD00792676, 1-(tert-butoxy)-4-bromobenzene, 4-bromophenyl tert-butyl ether, 4-Bromo-t-butoxybenzene, 4-(-tertbutoxy)bromobenzene, SCHEMBL1006518, SCHEMBL27822840, KCA87670, SBB097405, AKOS005070439, CS-W014193, SY151943, DB-053729, ST50408794, EN300-136445, 1-bromanyl-4-[(2-methylpropan-2-yl)oxy]benzene, 4T-0017, A832936, Z1203159865, InChI=1/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H

Application

1-Bromo-4-(tert-butoxy)benzene is primarily employed as a key intermediate in pharmaceutical and agrochemical synthesis. Its sterically hindered tert-butoxy group facilitates selective functionalization in cross-coupling reactions. Researchers also use it to develop liquid crystals and specialty polymers. The compound’s stability under basic conditions makes it suitable for catalytic transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H410 (12.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2 (87.5%)
• STOT SE 3 (37.5%)
• Aquatic Chronic 1 (12.5%)

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