Description

2-Bromo-4-chloro-1-fluorobenzene (CAS No. 1996-30-1) is a high-purity halogenated benzene derivative with the molecular formula C₆H₃BrClF. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique combination of bromo, chloro, and fluoro substituents on the aromatic ring allows for selective functionalization via cross-coupling reactions, nucleophilic substitutions, or metal-catalyzed transformations. Available in >98% purity (GC), this reagent is rigorously tested for consistency and stability, packaged under inert gas to ensure longevity. Ideal for Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, or as a precursor for liquid crystals and electronic materials. MSDS and NMR spectra available upon request.

Properties

• CAS Number: 1996-30-1
• Complexity: 99.1
• IUPAC Name: 2-bromo-4-chloro-1-fluoro-benzene
• InChI: InChI=1S/C6H3BrClF/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChI Key: YFFUYGSLQXVHMB-UHFFFAOYSA-N
• Exact Mass: 207.90907
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.44
• SMILES: C1=CC(=C(C=C1Cl)Br)F
• Monoisotopic Mass: 207.90907
• Synonyms: 1996-30-1, 2-Bromo-4-chloro-1-fluorobenzene, DTXSID20378319, DTXCID20329346, 672-502-3, 3-bromo-4-fluorochlorobenzene, 1-bromo-5-chloro-2-fluorobenzene, 3-Bromo-1-chloro-4-fluorobenzene, Benzene, 2-bromo-4-chloro-1-fluoro-, 2-bromo-4-chloro-1-fluoro-benzene, 2-BROMO-4-CHLOROFLUOROBENZENE, MFCD00672934, 2-Fluoro-5-chlorobromobenzene, 1-bromo-3-chloro-6-fluorobenzene, 5-chloro-2-fluorobromobenzene, SCHEMBL692283, CHEMBL2263224, SCHEMBL27829787, YFFUYGSLQXVHMB-UHFFFAOYSA-N, 4-chloro-2-bromo-1-fluoro-benzene, SBB094231, AKOS015853471, CS-W015146, FB64552, 2-Bromo-4-chloro-1-fluorobenzene, 96%, AC-23665, AS-17842, SY014711, DB-023803, B2956, EN300-109515, 3-Bromo-4-fluorochlorobenzene ;3-Bromo-1-chloro-4-fluorobenzene;2-Bromo-4-fluorochlorobenzene

Application

2-Bromo-4-chloro-1-fluorobenzene serves as a versatile intermediate in medicinal chemistry for introducing halogenated phenyl motifs into drug candidates. It is particularly useful in synthesizing kinase inhibitors and antimicrobial agents due to its orthogonal reactivity. The compound also finds application in material science for creating functionalized aromatic polymers. Its multiple halogen atoms enable sequential derivatization in multistep syntheses.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (85.7%): 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 (85.7%)
• STOT SE 3 (85.7%)

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