Description

4-(Difluoromethoxy)benzenesulfonamide (CAS No. 874781-09-6) is a high-purity sulfonamide derivative with the molecular formula C₇H₇F₂NO₃S. This compound features a difluoromethoxy group attached to a benzenesulfonamide core, making it a valuable intermediate for pharmaceutical and agrochemical research. Its unique structure offers potential for modulating biological activity, particularly in drug discovery targeting enzyme inhibition or receptor modulation. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. Researchers can utilize this compound for structure-activity relationship (SAR) studies or as a building block in medicinal chemistry programs. Available in quantities from milligrams to kilograms, it is suitable for both small-scale laboratory use and larger-scale process development.

Properties

• CAS Number: 874781-09-6
• Complexity: 267
• IUPAC Name: 4-(difluoromethoxy)benzenesulfonamide
• InChI: InChI=1S/C7H7F2NO3S/c8-7(9)13-5-1-3-6(4-2-5)14(10,11)12/h1-4,7H,(H2,10,11,12)
• InChI Key: BBBQHNZWCPUJNW-UHFFFAOYSA-N
• Exact Mass: 223.01147058
• Molecular Formula: C7H7F2NO3S
• Molecular Weight: 223.20
• SMILES: C1=CC(=CC=C1OC(F)F)S(=O)(=O)N
• Topological: 77.8
• Monoisotopic Mass: 223.01147058
• Synonyms: 4-(difluoromethoxy)benzenesulfonamide, 874781-09-6, 808-092-1, 4-difluoromethoxybenzenesulfonamide, 4-(Difluoromethoxy)benzensulfonamide, 4-(difluoromethoxy)benzene-1-sulfonamide, MFCD03407973, SCHEMBL5334787, SCHEMBL5334789, DTXSID80647578, BBBQHNZWCPUJNW-UHFFFAOYSA-N, SBB070565, 4-(Difluoromethoxy)benzene-sulfonamide, AKOS005063917, FS-2131, SB85470, SY016167, DB-037956, CS-0157412, D4778, EN300-271791, AN-652/43422949

Application

4-(Difluoromethoxy)benzenesulfonamide serves as a key intermediate in the synthesis of bioactive molecules, particularly in developing carbonic anhydrase inhibitors. Its difluoromethoxy group enhances metabolic stability, making it valuable for pharmaceutical research. The compound shows potential in creating novel sulfonamide-based therapeutics for conditions like glaucoma or epilepsy. Researchers also utilize it in agrochemical development for designing new pesticidal agents.

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]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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