Description

5-Fluoro-2-methylbenzaldehyde (CAS No. 22062-53-9) 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 structure features a fluorine substituent at the 5-position and a methyl group at the 2-position of the benzaldehyde ring, offering unique reactivity for electrophilic aromatic substitution and nucleophilic addition reactions. The product is supplied as a clear to pale-yellow liquid or crystalline solid, with ≥95% purity (GC) to ensure consistency in synthetic applications. Store under inert conditions at 2-8°C to maintain stability. Suitable for use in Grignard reactions, reductive amination, and as a precursor for heterocyclic compounds.

Properties

• CAS Number: 22062-53-9
• Complexity: 124
• IUPAC Name: 5-fluoro-2-methyl-benzaldehyde
• InChI: InChI=1S/C8H7FO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3
• InChI Key: MBOXPKNOGZJXPK-UHFFFAOYSA-N
• Exact Mass: 138.048093005
• Molecular Formula: C8H7FO
• Molecular Weight: 138.14
• SMILES: CC1=C(C=C(C=C1)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 138.048093005
• Synonyms: 5-Fluoro-2-methylbenzaldehyde, 22062-53-9, DTXSID50374602, DTXCID30325632, 624-321-6, MFCD02261763, BENZALDEHYDE, 5-FLUORO-2-METHYL-, 2-METHYL-5-FLUOROBENZALDEHYDE, 5-fluoro-2-methyl-benzaldehyde, SCHEMBL41736, SCHEMBL3729165, SBB064371, 5-Fluoro-2-methylbenzaldehyde, 96%, AKOS005255016, AC-2840, CS-W011052, FF64024, PS-9081, SY003083, DB-005378, F0746, EN300-127363, Z1080470282

Application

5-Fluoro-2-methylbenzaldehyde is widely used as an intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates targeting CNS disorders. It serves as a key precursor in the preparation of fluorinated benzodiazepines and antifungal agents. The compound’s aldehyde group enables facile condensation reactions for constructing Schiff bases or heterocycles like quinazolines. Researchers also utilize it in material science for developing fluorinated liquid crystals or OLED materials.

Safety and Hazards

GHS Hazard Statements

• H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.9%): 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (17%)
• Eye Dam. 1 (85.1%)
• Eye Irrit. 2 (14.9%)
• STOT SE 3 (14.9%)

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