Description

5-Bromo-2-chloro-1,3-difluorobenzene (CAS No. 176673-72-6) is a high-purity halogenated benzene derivative with the molecular formula C₆H₂BrClF₂. This compound is characterized by its unique substitution pattern, featuring bromo, chloro, and fluoro groups at the 5, 2, and 1,3 positions, respectively, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its precise molecular structure ensures excellent reactivity in cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced materials. Suitable for use in HPLC, GC-MS, and NMR applications, this product is rigorously tested to meet the highest standards of purity and consistency. Packaged under inert gas to ensure stability, it is ideal for researchers requiring reliable and high-quality reagents for complex chemical transformations.

Properties

• CAS Number: 176673-72-6
• Complexity: 110
• IUPAC Name: 5-bromo-2-chloro-1,3-difluoro-benzene
• InChI: InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
• InChI Key: SWELJVAWQMCJLG-UHFFFAOYSA-N
• Exact Mass: 225.89965
• Molecular Formula: C6H2BrClF2
• Molecular Weight: 227.43
• SMILES: C1=C(C=C(C(=C1F)Cl)F)Br
• Monoisotopic Mass: 225.89965
• Synonyms: 5-Bromo-2-chloro-1,3-difluorobenzene, 176673-72-6, DTXSID60378313, DTXCID60329340, 800-772-6, 4-Chloro-3,5-difluorobromobenzene, 1-bromo-4-chloro-3,5-difluorobenzene, Benzene, 5-bromo-2-chloro-1,3-difluoro-, 5-bromo-2-chloro-1,3-difluoro-benzene, MFCD00143420, SCHEMBL149630, SCHEMBL585514, SWELJVAWQMCJLG-UHFFFAOYSA-N, BCP11403, SBB097174, AKOS015890094, AC-2303, AS-18168, SY040767, DB-044267, CS-0134653, EN300-182846

Application

5-Bromo-2-chloro-1,3-difluorobenzene is widely utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its halogen-rich structure makes it particularly useful in palladium-catalyzed cross-coupling reactions, such as Suzuki and Buchwald-Hartwig couplings, enabling the construction of complex aromatic systems. Additionally, this compound serves as a precursor in the development of liquid crystals and organic electronic materials due to its electron-withdrawing properties. Researchers also employ it in the preparation of fluorinated analogs for drug discovery and medicinal chemistry applications.

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. 2A (100%)
• STOT SE 3 (100%)

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