Description

2-(Trifluoromethoxy)benzenesulfonamide (CAS No. 37526-59-3) is a high-purity sulfonamide derivative with the molecular formula C₇H₆F₃NO₃S. This compound features a benzenesulfonamide core substituted with a trifluoromethoxy group at the ortho position, offering unique electronic and steric properties. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ensuring consistency for research applications. Ideal for medicinal chemistry, agrochemical development, and materials science, this reagent is packaged under inert conditions to guarantee stability. Available in quantities ranging from milligrams to kilograms, it is suitable for both small-scale experiments and industrial-scale synthesis.

Properties

• CAS Number: 37526-59-3
• Complexity: 308
• IUPAC Name: 2-(trifluoromethoxy)benzenesulfonamide
• InChI: InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-3-1-2-4-6(5)15(11,12)13/h1-4H,(H2,11,12,13)
• InChI Key: HIFGQHGWMTZMOH-UHFFFAOYSA-N
• Exact Mass: 241.00204871
• Molecular Formula: C7H6F3NO3S
• Molecular Weight: 241.19
• SMILES: C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)N
• Topological: 77.8
• Monoisotopic Mass: 241.00204871
• Synonyms: 2-(Trifluoromethoxy)benzenesulfonamide, 37526-59-3, Benzenesulfonamide, 2-(trifluoromethoxy)-, UNII-3DQ25354MB, 3DQ25354MB, DTXSID1044930, DTXCID9024930, 2-(trifluoromethoxy)benzene-1-sulfonamide, 2-Trifluoromethoxy benzenesulfonamide, MFCD01320751, SCHEMBL692280, SCHEMBL6039108, CHEMBL3188268, SCHEMBL10646541, Tox21_301693, BBL100411, SBB099408, STL554205, ZB1785, AKOS000137761, PS-7573, NCGC00256150-01, SY018621, CAS-37526-59-3, DB-019548, CS-0041598, ST50407252, T2604, 2-trifluoromethoxy-benzene-sulphonic acid amide, EN300-245385, Q27257085, F2158-2247

Application

2-(Trifluoromethoxy)benzenesulfonamide serves as a versatile intermediate in pharmaceutical research, particularly in the design of enzyme inhibitors and receptor modulators due to its sulfonamide pharmacophore. Its trifluoromethoxy group enhances metabolic stability, making it valuable in drug discovery for CNS and anti-inflammatory targets. The compound is also employed in agrochemical synthesis for developing herbicides and fungicides with improved efficacy. Researchers utilize it in materials science to engineer fluorinated polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (20%)
• Acute Tox. 4 (20%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (20%)
• 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.