Description

3-Chloro-4-fluorobenzaldehyde (CAS No. 34328-61-5) is a high-purity aromatic aldehyde featuring both chloro and fluoro substituents on its benzene ring. This compound, with the molecular formula C₇H₄ClFO, is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique electronic properties, conferred by the halogen substituents, make it an excellent intermediate for nucleophilic aromatic substitution (S_NAr) reactions and cross-coupling methodologies. Available in >98% purity (GC), this reagent is supplied in sealed packaging under inert conditions to ensure stability and longevity. Ideal for use in medicinal chemistry, material science, and fine chemical synthesis, this benzaldehyde derivative is a must-have for researchers seeking to explore halogenated aromatic systems.

Properties

• CAS Number: 34328-61-5
• Complexity: 129
• IUPAC Name: 3-chloro-4-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
• InChI Key: GVORVQPNNSASDM-UHFFFAOYSA-N
• Exact Mass: 157.9934706
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• SMILES: C1=CC(=C(C=C1C=O)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 157.9934706
• Synonyms: 3-Chloro-4-fluorobenzaldehyde, 34328-61-5, DTXSID80344010, DTXCID10295086, 608-972-3, MFCD00011735, 4-fluoro-3-chlorobenzaldehyde, 3-chloro-4-fluoro-benzaldehyde, Benzaldehyde, 3-chloro-4-fluoro-, 3-Chloro-4-fluorobenzaldehyde,, SCHEMBL42757, 3-chloro-4fluoro-benzaldehyde, 3-chloro-4-fluoro benzaldehyde, 4-fluoro-3-chloro-benzaldehyde, SCHEMBL2554329, SCHEMBL27817239, 3-chloranyl-4-fluoranyl-benzaldehyde, BBL036948, SBB003984, STL353605, 3-Chloro-4-fluorobenzaldehyde, 97%, AKOS005217033, AC-2521, CS-W017953, PS-8799, BP-10731, SY001803, DB-023909, NS00121765, ST50824720, EN300-49143, A805007, Z586248502, InChI=1/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4

Application

3-Chloro-4-fluorobenzaldehyde serves as a key intermediate in the synthesis of bioactive molecules, including pharmaceutical candidates and agrochemicals. Its halogenated structure facilitates further functionalization via palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck). Researchers utilize this compound in the development of fluorinated liquid crystals and advanced materials due to its electron-withdrawing properties. It is also employed in the preparation of Schiff bases and other aldehydes for corrosion inhibition studies.

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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