Description

1,4-Dibromo-2-fluorobenzene (CAS No. 1435-52-5) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃Br₂F. This organobromine derivative is a valuable intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its unique structure, featuring two bromine substituents and a fluorine atom on a benzene ring, enables selective functionalization via cross-coupling reactions (e.g., Suzuki, Stille) or nucleophilic aromatic substitution. Available in >98% purity (GC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency for research and industrial applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1435-52-5
• Complexity: 97.1
• IUPAC Name: 1,4-dibromo-2-fluoro-benzene
• InChI: InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChI Key: WNSNPGHNIJOOPM-UHFFFAOYSA-N
• Exact Mass: 253.85650
• Molecular Formula: C6H3Br2F
• Molecular Weight: 253.89
• SMILES: C1=CC(=C(C=C1Br)F)Br
• Monoisotopic Mass: 251.85855
• Synonyms: 1,4-Dibromo-2-fluorobenzene, 1435-52-5, DTXSID10162446, NSC 402971, DTXCID0084937, 629-432-3, 2,5-dibromo-fluorobenzene, 2,5-dibromofluorobenzene, MFCD00010603, Benzene, 1,4-dibromo-2-fluoro-, NSC402971, SCHEMBL325998, SCHEMBL359978, SCHEMBL28851896, CK2389, SBB101337, 1,4-Dibromo-2-fluorobenzene, 98%, AKOS015835210, CS-W008202, NSC-402971, AS-19431, BP-12757, SY020716, DB-042693, ST50405487, EN300-132539, InChI=1/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3

Application

1,4-Dibromo-2-fluorobenzene serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, leveraging its bromine sites for palladium-catalyzed couplings. It is also employed in materials science to create liquid crystals and OLED precursors, where the fluorine atom enhances electronic properties. In agrochemical research, it acts as a key intermediate for developing halogenated pesticides and herbicides.

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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