Description

4-Bromo-3-fluorobenzaldehyde (CAS No. 133059-43-5) is a high-purity aromatic aldehyde compound with the molecular formula C₇H₄BrFO. This halogenated benzaldehyde derivative is a versatile building block in organic synthesis, particularly in pharmaceutical, agrochemical, and materials science research. The compound features both bromine and fluorine substituents on the benzene ring, offering unique reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in stable, moisture-resistant packaging under inert conditions to maintain integrity. Ideal for use in Suzuki-Miyaura couplings, Grignard reactions, or as a precursor for heterocyclic synthesis.

Key Specifications:
– CAS: 133059-43-5
– Molecular Weight: 203.01 g/mol
– Appearance: White to off-white crystalline powder
– Melting Point: ~45-50°C
– Storage: 2-8°C under inert atmosphere

Properties

• CAS Number: 133059-43-5
• Complexity: 129
• IUPAC Name: 4-bromo-3-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
• InChI Key: SWHUROFMIMHWKS-UHFFFAOYSA-N
• Exact Mass: 201.94296
• Molecular Formula: C7H4BrFO
• Molecular Weight: 203.01
• SMILES: C1=CC(=C(C=C1C=O)F)Br
• Topological: 17.1
• Monoisotopic Mass: 201.94296
• Synonyms: 4-Bromo-3-fluorobenzaldehyde, 133059-43-5, DTXSID90382645, DTXCID70333670, 623-353-8, 3-fluoro-4-bromobenzaldehyde, BENZALDEHYDE, 4-BROMO-3-FLUORO-, MFCD03095000, 4-bromo-3-fluoro-benzaldehyde, SCHEMBL361060, 4-Bromo-3-Fluorobenzaldehyde?, SWHUROFMIMHWKS-UHFFFAOYSA-N, BCP24588, 4-Bromo-3-fluorobenzaldehyde, 97%, AC-166, SBB064036, AKOS005064039, CL-0798, CS-W007518, FB61462, HY-W007518, PB48603, PS-8177, SY014362, DB-006710, B4319, EN300-105027, Z1079442824

Application

4-Bromo-3-fluorobenzaldehyde serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates. The compound is utilized in palladium-catalyzed cross-coupling reactions to create biaryl structures common in kinase inhibitors. Its aldehyde functionality allows for condensation reactions to form Schiff bases or heterocycles like quinazolines. Researchers also employ this reagent in material science for constructing fluorinated liquid crystals or organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Acute Tox. 4 (91.1%)
• Eye Irrit. 2A (95.6%)

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