Description

4-Bromo-2-chloro-1-fluorobenzene (CAS No. 60811-21-4) is a high-purity halogenated benzene derivative with the molecular formula C₆H₃BrClF. This compound is a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications, where its unique halogen substitution pattern enables selective functionalization. With a purity of ≥99%, it is ideal for researchers requiring precise control in cross-coupling reactions (e.g., Suzuki-Miyaura, Buchwald-Hartwig) and nucleophilic aromatic substitutions. Available in secure, lab-friendly packaging with detailed analytical certificates (GC/MS, NMR) to ensure reproducibility. Store under inert conditions to maintain stability.

Properties

• CAS Number: 60811-21-4
• Complexity: 99.1
• IUPAC Name: 4-bromo-2-chloro-1-fluoro-benzene
• InChI: InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChI Key: CJTIWGBQCVYTQE-UHFFFAOYSA-N
• Exact Mass: 207.90907
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.44
• SMILES: C1=CC(=C(C=C1Br)Cl)F
• Monoisotopic Mass: 207.90907
• Synonyms: 4-Bromo-2-chloro-1-fluorobenzene, 4-Bromo-2-chlorofluorobenzene, DTXSID20393481, EC 405-580-2, DTXCID10344341, 405-580-2, 612-037-5, 60811-21-4, 1-Bromo-3-chloro-4-fluorobenzene, 3-chloro-4-fluorobromobenzene, 4-bromo-2-chloro-1-fluoro-benzene, 3-Chloro-4-fluorobenzene bromide, Benzene, 4-bromo-2-chloro-1-fluoro-, 4-bromo-2-chloro-fluorobenzene, SCHEMBL330695, 3-chloro-4-fluoro-bromobenzene, SCHEMBL1096957, SCHEMBL23531228, SCHEMBL27843006, 4-bromo-2-ch1oro-1-fluorobenzene, MFCD00051794, SBB094230, AKOS000280961, AC-8198, 4-Bromo-2-chloro-1-fluorobenzene, 99%, PS-10240, A8465, B1860, NS00006309, ST50408594, C91617, EN300-175512, InChI=1/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3

4-Bromo-2-chloro-1-fluorobenzene is widely used as a building block in medicinal chemistry for synthesizing active pharmaceutical ingredients (APIs). Its halogen-rich structure facilitates stepwise derivatization, making it valuable in drug discovery. The compound also serves as a precursor in material science for designing liquid crystals and organic semiconductors. Its stability under palladium-catalyzed conditions makes it suitable for constructing complex aromatic scaffolds.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H315: Causes skin irritation [Warning Skin corrosion/irritation]
• H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (100%)

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