Description

2-Methylsulfonylbenzaldehyde (CAS: 5395-89-1) is a high-purity organic compound with the molecular formula C₈H₈O₃S, widely utilized in pharmaceutical and chemical research. This white to off-white crystalline powder exhibits excellent stability under standard laboratory conditions, making it ideal for synthetic applications. With a molecular weight of 184.21 g/mol, it features a benzaldehyde core substituted with a methylsulfonyl group at the 2-position, enhancing its reactivity in nucleophilic addition and condensation reactions. Our product is rigorously tested for purity (>98% by HPLC) and consistency, ensuring reliable performance in advanced organic synthesis, including the preparation of biologically active intermediates. Packaged in amber glass vials or sealed plastic containers to prevent degradation, this compound is a must-have for researchers developing novel therapeutic agents or specialty chemicals.

Properties

• CAS Number: 5395-89-1
• Complexity: 250
• IUPAC Name: 2-methylsulfonylbenzaldehyde
• InChI: InChI=1S/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3
• InChI Key: HFOCAQPWSXBFFN-UHFFFAOYSA-N
• Exact Mass: 184.01941529
• Molecular Formula: C8H8O3S
• Molecular Weight: 184.21
• SMILES: CS(=O)(=O)C1=CC=CC=C1C=O
• Topological: 59.6
• Monoisotopic Mass: 184.01941529
• Synonyms: 2-methylsulfonylbenzaldehyde, 849-163-7, 2-(Methylsulfonyl)benzaldehyde, 5395-89-1, MFCD11052332, 2-(methylsulphonyl)benzaldehyde, Benzaldehyde, 2-(methylsulfonyl)-, NSC3012, methylsulfonylbenzaldehyde, methanesulfonyl benzaldehyde, SCHEMBL536000, SCHEMBL536001, DTXSID60277594, HFOCAQPWSXBFFN-UHFFFAOYSA-N, NSC-3012, AKOS006308932, AC-2925, AS-31520, PD195054, SY003356

2-Methylsulfonylbenzaldehyde serves as a versatile building block in organic synthesis, particularly in the preparation of sulfone-containing pharmaceuticals and agrochemicals. It is commonly employed in Suzuki-Miyaura cross-coupling reactions to construct complex aromatic systems. Researchers also utilize it as a precursor for synthesizing heterocyclic compounds with potential biological activity. Its electron-withdrawing sulfonyl group enhances reactivity in aldol condensations and Michael additions.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): 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 (66.7%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

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