Description

3-Fluoro-5-methylbenzaldehyde (CAS No. 189628-39-5) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₈H₇FO. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both a fluorine substituent and a methyl group on the benzene ring, enhances reactivity and selectivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. The aldehyde functional group allows for further derivatization, making it a versatile intermediate for synthesizing complex molecules. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed containers under inert gas to maintain stability. Ideal for researchers seeking reliable, high-quality reagents for advanced synthetic applications.

Properties

• CAS Number: 189628-39-5
• Complexity: 124
• IUPAC Name: 3-fluoro-5-methyl-benzaldehyde
• InChI: InChI=1S/C8H7FO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
• InChI Key: XXPITUUQKCGWNR-UHFFFAOYSA-N
• Exact Mass: 138.048093005
• Molecular Formula: C8H7FO
• Molecular Weight: 138.14
• SMILES: CC1=CC(=CC(=C1)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 138.048093005
• Synonyms: 3-Fluoro-5-methylbenzaldehyde, 189628-39-5, DTXSID50380940, DTXCID80331965, Benzaldehyde, 3-fluoro-5-methyl-, 3-fluoro-5-methyl-benzaldehyde, MFCD03094315, 5-fluoro-3-methylbenzaldehyde, Benzaldehyde, 3-fluoro-5-methyl- (9CI), 5-Methyl-3-fluorobenzaldehyde, SCHEMBL698784, SCHEMBL28896868, XXPITUUQKCGWNR-UHFFFAOYSA-N, CL8329, SBB064351, AKOS005063836, AB13319, AC-3846, CS-W014362, DS-2065, PS-9080, SY041315, EN300-1165947, Z1255439109

Application

3-Fluoro-5-methylbenzaldehyde is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its fluorine and aldehyde groups make it suitable for constructing biologically active compounds, such as enzyme inhibitors or receptor modulators. In material science, it serves as a precursor for fluorinated polymers or liquid crystals. The methyl group further enhances its utility in fine-tuning steric and electronic properties during molecular design.

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 (100%): 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 (100%)

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