Description

1-Bromo-3-chloro-2-fluorobenzene (CAS No. 144584-65-6) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃BrClF. This specialty chemical is meticulously synthesized for use in advanced organic synthesis, pharmaceutical intermediates, and materials science research. Its unique structure, featuring bromine, chlorine, and fluorine substituents on a benzene ring, makes it a versatile building block for cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic aromatic substitutions. Available in >98% purity (GC), it is supplied in amber glass vials under inert atmosphere to ensure stability. Ideal for researchers developing agrochemicals, liquid crystals, or bioactive molecules. Hazard statements: H315-H319-H335. Precautionary codes: P261-P305+P351+P338.

Properties

• CAS Number: 144584-65-6
• Complexity: 99.1
• IUPAC Name: 1-bromo-3-chloro-2-fluoro-benzene
• InChI: InChI=1S/C6H3BrClF/c7-4-2-1-3-5(8)6(4)9/h1-3H
• InChI Key: DRNWNTAANHEQMK-UHFFFAOYSA-N
• Exact Mass: 207.90907
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.44
• SMILES: C1=CC(=C(C(=C1)Br)F)Cl
• Monoisotopic Mass: 207.90907
• Synonyms: 1-Bromo-3-chloro-2-fluorobenzene, 144584-65-6, DTXSID30395032, DTXCID90345891, 674-560-5, 3-chloro-2-fluorobromobenzene, Benzene, 1-bromo-3-chloro-2-fluoro-, 1-bromo-3-chloro-2-fluoro-benzene, MFCD03412182, SCHEMBL691632, SCHEMBL9367007, SCHEMBL10809899, SCHEMBL23531222, SBB094229, AKOS015853353, AC-8203, CS-W015145, AS-18784, SY021835, DB-019070, B2972, 1-Bromo-3-chloro-2-fluorobenzene, AldrichCPR, EN300-1911790

Application

1-Bromo-3-chloro-2-fluorobenzene serves as a key intermediate in the synthesis of complex aromatic systems for pharmaceutical candidates, particularly in kinase inhibitor development. Its multiple halogen handles enable sequential functionalization for creating diversity-oriented libraries in medicinal chemistry. The compound is also employed in materials science for constructing fluorinated liquid crystals and OLED precursors. In agrochemical research, it acts as a scaffold for novel pesticides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): 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 (75%)
• STOT SE 3 (75%)

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