Description

4-Fluoro-2-methylbenzaldehyde (CAS No. 63082-45-1) 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 reactive aldehyde group adjacent to a fluorine substituent, enabling selective modifications for advanced intermediates. Ideal for Suzuki couplings, Grignard reactions, and reductive aminations, this reagent is rigorously tested for consistency (≥98% purity by GC) and supplied in sealed packaging to ensure stability. Suitable for use in medicinal chemistry, material science, and as a precursor for fluorinated liquid crystals.

Properties

• CAS Number: 63082-45-1
• Complexity: 124
• IUPAC Name: 4-fluoro-2-methyl-benzaldehyde
• InChI: InChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
• InChI Key: ADCFIKGEGWFWEA-UHFFFAOYSA-N
• Exact Mass: 138.048093005
• Molecular Formula: C8H7FO
• Molecular Weight: 138.14
• SMILES: CC1=C(C=CC(=C1)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 138.048093005
• Synonyms: 4-Fluoro-2-methylbenzaldehyde, 63082-45-1, DTXSID60382516, DTXCID40333541, 625-943-0, MFCD02261764, 4-fluoro-2-methyl-benzaldehyde, 4-Fluoro-o-tolualdehyde, 2-methyl-4-fluorobenzaldehyde, BENZALDEHYDE, 4-FLUORO-2-METHYL-, SCHEMBL1350147, 2-Methyl-4-fluoro-benzaldehyde, SCHEMBL21201386, SBB052157, 4-Fluoro-2-methylbenzaldehyde, 97%, AKOS009159149, AC-2638, CS-W002936, FF40254, PS-9086, SY002362, DB-023663, F0793, EN300-56294, Z853084730

Application

4-Fluoro-2-methylbenzaldehyde is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and anti-inflammatory agents. Its electron-withdrawing fluorine group enhances the reactivity of the aldehyde in nucleophilic additions, making it valuable for constructing complex heterocycles. Researchers also employ it in agrochemical development to modify bioavailability of active ingredients. Additionally, it serves as a precursor in OLED material research due to its fluorinated aromatic core.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (16.7%): 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (83.3%)
• Eye Irrit. 2 (16.7%)
• STOT SE 3 (97.9%)

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