Atomfair 1-Bromo-4-chloro-2-fluorobenzene C6H3BrClF CAS 1996-29-8

Description

1-Bromo-4-chloro-2-fluorobenzene (CAS No. 1996-29-8) is a high-purity halogenated benzene derivative with the molecular formula C₆H₃BrClF. This compound is an essential intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its unique structure, featuring bromine, chlorine, and fluorine substituents on the aromatic ring, enables selective functionalization for advanced chemical transformations. Available in >98% purity (GC), it is supplied in sealed, light-resistant containers to ensure stability. Ideal for cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig), nucleophilic substitutions, and as a building block for liquid crystals or OLED materials. MSDS and analytical certificates (HPLC, NMR) are provided.

Properties

• CAS Number: 1996-29-8
• Complexity: 99.1
• IUPAC Name: 1-bromo-4-chloro-2-fluoro-benzene
• InChI: InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H
• InChI Key: FPNVMCMDWZNTEU-UHFFFAOYSA-N
• Exact Mass: 207.90907
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.44
• SMILES: C1=CC(=C(C=C1Cl)F)Br
• Monoisotopic Mass: 207.90907
• Synonyms: 1-Bromo-4-chloro-2-fluorobenzene, 1996-29-8, DTXSID00173743, DTXCID9096234, 642-588-7, fpnvmcmdwznteu-uhfffaoysa-n, 4-chloro-2-fluorobromobenzene, 2-bromo-5-chlorofluorobenzene, Benzene, 1-bromo-4-chloro-2-fluoro-, MFCD00079708, 1-Bromo-4-chloro-2-fluoro-benzene, 2-fluoro-4-chlorobromobenzene, 1-bromo-2-fluoro-4-chlorobenzene, 2-bromo-5-chloro-1-fluorobenzene, 2-bromo-5-chlorofluorbenzene, SCHEMBL118511, SCHEMBL7556156, CHEMBL2263227, SCHEMBL27657919, BCP24583, SBB094234, AKOS005063888, AC-9665, CS-W008703, FB19144, 1-Bromo-4-chloro-2-fluorobenzene, 98%, SY013104, DB-021075, B2724, ST50405133, A25210, EN300-105273, Z1269134572

Application

1-Bromo-4-chloro-2-fluorobenzene is widely used as a key synthon in pharmaceutical research, particularly for the preparation of active pharmaceutical ingredients (APIs) via palladium-catalyzed couplings. It also serves as a precursor in agrochemical synthesis for crop protection agents. The compound’s halogen-rich structure makes it valuable in material science for designing fluorinated liquid crystals or electronic materials.

Safety and Hazards

GHS Hazard Statements

• H315 (92.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (84.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (84.6%): 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 (92.3%)
• Eye Irrit. 2A (84.6%)
• STOT SE 3 (84.6%)

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