Description

3-Chloro-5-fluorobenzaldehyde (CAS No. 90390-49-1) is a high-purity aromatic aldehyde with the molecular formula C₇H₄ClFO. This compound features both chloro and fluoro substituents on the benzaldehyde ring, making it a versatile intermediate for organic synthesis, pharmaceutical research, and material science applications. Its IUPAC name, 3-chloro-5-fluorobenzaldehyde, reflects its precise structural configuration. The product is supplied as a crystalline solid or solution, with rigorous QC testing to ensure >98% purity (HPLC/GC). Ideal for nucleophilic addition reactions, cross-coupling, or as a precursor for heterocycle formation. Store under inert conditions at 2-8°C to maintain stability. Available in research (mg to g) and bulk (kg) quantities with custom packaging options.

Properties

• CAS Number: 90390-49-1
• Complexity: 129
• IUPAC Name: 3-chloro-5-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• InChI Key: QWBYWPJNPKGEBO-UHFFFAOYSA-N
• Exact Mass: 157.9934706
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• SMILES: C1=C(C=C(C=C1F)Cl)C=O
• Topological: 17.1
• Monoisotopic Mass: 157.9934706
• Synonyms: 3-Chloro-5-fluorobenzaldehyde, 90390-49-1, DTXSID10370529, DTXCID40321564, 642-796-8, MFCD02261734, 5-chloro-3-fluorobenzaldehyde, Benzaldehyde, 3-chloro-5-fluoro-, 3-Chloro-5-fluoro-benzaldehyde, SCHEMBL224110, SCHEMBL17143891, QWBYWPJNPKGEBO-UHFFFAOYSA-N, CS-B0666, BBL101288, SBB064508, STL555084, AKOS005257576, AB11796, AC-2300, PS-8803, SY030344, DB-057200, C3365, ST51042114, EN300-141431, F0001-4128, Z1203161793

Application

3-Chloro-5-fluorobenzaldehyde serves as a key building block in medicinal chemistry for synthesizing fluorinated drug candidates, particularly kinase inhibitors and CNS-active compounds. Its electron-deficient aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig couplings in agrochemical development. The aldehyde group enables Schiff base formation for coordination chemistry and catalyst design. Researchers also utilize it to prepare liquid crystal materials with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (80%)
• Skin Irrit. 2 (20%)
• Eye Irrit. 2 (20%)
• STOT SE 3 (18%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.