Description

2-Bromo-1-(2-bromoethyl)-4-chlorobenzene (CAS No. 52927-98-7) is a high-purity halogenated aromatic compound with the molecular formula C₈H₇Br₂Cl. This specialized chemical features a benzene ring substituted with bromine at the 2-position, a 2-bromoethyl group at the 1-position, and chlorine at the 4-position, making it a versatile intermediate for synthetic organic chemistry applications. Ideal for researchers and industrial chemists, this compound is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC purity verification (typically ≥95%). Proper handling requires PPE due to potential skin/eye irritation. Available in amber glass vials or bulk quantities with customizable packaging under inert atmosphere to ensure stability.

Properties

• CAS Number: 52927-98-7
• Complexity: 119
• IUPAC Name: 2-bromo-1-(2-bromoethyl)-4-chloro-benzene
• InChI: InChI=1S/C8H7Br2Cl/c9-4-3-6-1-2-7(11)5-8(6)10/h1-2,5H,3-4H2
• InChI Key: ZGTQVICDUIVRAK-UHFFFAOYSA-N
• Exact Mass: 297.85825
• Molecular Formula: C8H7Br2Cl
• Molecular Weight: 298.40
• SMILES: C1=CC(=C(C=C1Cl)Br)CCBr
• Monoisotopic Mass: 295.86030
• Synonyms: 2-Bromo-1-(2-bromoethyl)-4-chlorobenzene, 52927-98-7, SCHEMBL10830804, DTXSID20618565, ZGTQVICDUIVRAK-UHFFFAOYSA-N, MFCD22376643, AKOS016012279, DS-6872, DA-18198, CS-0156859, O10665

Application

This compound serves as a key building block in pharmaceutical and agrochemical synthesis, particularly for introducing halogenated aromatic motifs. It is employed in cross-coupling reactions (e.g., Suzuki-Miyaura) to create biaryl structures, and as a precursor for liquid crystal materials. The dual bromine functionality allows sequential functionalization, making it valuable for structure-activity relationship studies in drug discovery.

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