Description

1-Benzyloxy-4-bromo-2-chlorobenzene (CAS No. 56872-27-6) is a high-purity halogenated aromatic compound with the molecular formula C₁₃H₁₀BrClO. This specialty chemical is characterized by its benzyl-protected phenol group and strategically positioned bromo- and chloro-substituents, making it a versatile intermediate for advanced organic synthesis. With a molecular weight of 297.57 g/mol, this compound exhibits excellent stability under standard conditions and is supplied as a crystalline solid with ≥95% purity (HPLC). Ideal for pharmaceutical research, materials science, and fine chemical manufacturing, our product undergoes rigorous QC testing including GC-MS, NMR, and elemental analysis to ensure batch-to-batch consistency. Proper storage at 2-8°C in airtight containers is recommended for long-term stability.

Properties

• CAS Number: 56872-27-6
• Complexity: 206
• IUPAC Name: 1-benzyloxy-4-bromo-2-chloro-benzene
• InChI: InChI=1S/C13H10BrClO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChI Key: RUVDUIQMBVBZFS-UHFFFAOYSA-N
• Exact Mass: 295.96036
• Molecular Formula: C13H10BrClO
• Molecular Weight: 297.57
• SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)Cl
• Topological: 9.2
• Monoisotopic Mass: 295.96036
• Synonyms: 56872-27-6, 1-Benzyloxy-4-bromo-2-chlorobenzene, DTXSID70448192, DTXCID10399013, 624-105-1, 1-(BENZYLOXY)-4-BROMO-2-CHLOROBENZENE, 4-bromo-2-chloro-1-phenylmethoxybenzene, 4-Bromo-2-chloro-1-(phenylmethoxy)-benzene, MFCD09265138, SCHEMBL2767847, RUVDUIQMBVBZFS-UHFFFAOYSA-N, AKOS016003189, CS-W016754, AS-36725, 1-Benzyloxy-4-bromo-2-chlorobenzene, 97%, DB-362958

Application

This compound serves as a key building block in Suzuki-Miyaura cross-coupling reactions for creating biaryl structures in drug discovery. Researchers utilize it as a precursor for synthesizing advanced intermediates in agrochemical and pharmaceutical development. The orthogonal halogen substitution pattern enables sequential functionalization in complex molecule assembly.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)
• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (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.