Description

N-ethyl-2-nitrobenzene-1-sulfonamide (CAS No. 23530-41-8) is a high-purity sulfonamide derivative with the molecular formula C₈H₁₀N₂O₄S. This compound, also known by its IUPAC name N-ethyl-2-nitrobenzenesulfonamide, is a valuable synthetic intermediate in organic chemistry and pharmaceutical research. It features a nitro-substituted benzene ring coupled with an ethylsulfonamide functional group, offering versatile reactivity for nucleophilic substitutions and coupling reactions. With a molecular weight of 230.24 g/mol, this yellow to light brown crystalline powder is characterized by its high stability and solubility in common organic solvents such as DMSO, methanol, and dichloromethane. Ideal for laboratory use, it is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC purity reports (typically ≥95%). Store in a cool, dry place away from light and oxidizing agents to ensure prolonged shelf life.

Properties

• CAS Number: 23530-41-8
• Complexity: 317
• IUPAC Name: N-ethyl-2-nitro-benzenesulfonamide
• InChI: InChI=1S/C8H10N2O4S/c1-2-9-15(13,14)8-6-4-3-5-7(8)10(11)12/h3-6,9H,2H2,1H3
• InChI Key: MQOIFAQSYCSLRF-UHFFFAOYSA-N
• Exact Mass: 230.03612798
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.24
• SMILES: CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
• Topological: 100
• Monoisotopic Mass: 230.03612798
• Synonyms: N-Ethyl-2-nitrobenzene-1-sulfonamide, 967-885-1, 23530-41-8, N-ethyl-2-nitrobenzenesulfonamide, Benzenesulfonamide, N-ethyl-2-nitro-, MFCD00458269, SCHEMBL2126962, SCHEMBL4172154, SCHEMBL8526974, DTXSID40353542, MQOIFAQSYCSLRF-UHFFFAOYSA-N, N-ethyl-2-nitrobenzene-sulfonamide, AKOS003835713, SB77328, BS-22091, DB-119930, F72119, EN300-1452898

Application

N-ethyl-2-nitrobenzene-1-sulfonamide is widely utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its nitro and sulfonamide groups make it a versatile precursor for the development of sulfa drugs and other biologically active compounds. Researchers employ this compound in palladium-catalyzed cross-coupling reactions and as a building block for heterocyclic frameworks. It is also investigated for its potential use in materials science, particularly in the design of sulfonamide-based polymers and sensors.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): 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 (100%): 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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• 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.