Cas no 5455-59-4 (2-nitrobenzene-1-sulfonamide)

2-Nitrobenzene-1-sulfonamide is a sulfonamide derivative characterized by the presence of a nitro group at the ortho position relative to the sulfonamide functionality. This compound is primarily utilized in organic synthesis as a versatile intermediate, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its nitro and sulfonamide groups offer reactive sites for further functionalization, enabling the construction of complex molecular architectures. The electron-withdrawing nature of the nitro group enhances the reactivity of adjacent positions, facilitating selective transformations. This compound is valued for its stability under standard conditions and compatibility with a range of synthetic methodologies, making it a useful reagent in multistep synthesis.
2-nitrobenzene-1-sulfonamide structure
2-nitrobenzene-1-sulfonamide structure
Product Name:2-nitrobenzene-1-sulfonamide
CAS No:5455-59-4
MF:C6H6N2O4S
MW:202.187839984894
MDL:MFCD00009807
CID:45905
PubChem ID:138510
Update Time:2025-06-15

2-nitrobenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-Nitrobenzenesulfonamide
    • 2-Nitro-benzenesulfonamide
    • 2-Nitrobenzenesulphonamide
    • 2-Sulphamoylnitrobenzene
    • Neocuproine HeMihydrate
    • nitrobenzenesulfonamide
    • nitrophenylsulphonamide
    • o-nitrobenzenesulfonamide
    • NSC 23381
    • NSC 629275
    • Benzenesulfonamide,o-nitro- (6CI,7CI,8CI)
    • 2-nitrobenzene-1-sulfonamide
    • GNDKYAWHEKZHPJ-UHFFFAOYSA-N
    • NSC629275
    • NSC23381
    • 2-nitrophenylsulfonamide
    • 2-nitrobenzene-sulfonamide
    • 2-Nitro benzene sulphonamide
    • KSC490I0N
    • 2-(Aminosulphonyl)nitrobenzene
    • E
    • Z45415562
    • AKOS000200557
    • o-nitrobenzenesulfonylamide
    • SY058096
    • NSC-23381
    • CHEMBL361396
    • J-510172
    • 1-nitro-2-(sulfinatoamino)benzene
    • SCHEMBL370668
    • N0705
    • 2-NITROPHENYL SULFONYLAMINE
    • A830240
    • AMY5016
    • AB01099064-03
    • CS-W008096
    • FT-0613180
    • HY-W008096
    • BP-12501
    • SB37611
    • NCGC00338999-01
    • NSC-629275
    • BCP25648
    • 5455-59-4
    • PS-6117
    • DTXSID30202974
    • 2-Nitrobenzenesulfonamide, 98%
    • 2-(Hydroxy(oxido)amino)benzenesulfonamide
    • SCHEMBL7256089
    • EN300-15720
    • MFCD00009807
    • DB-021441
    • MDL: MFCD00009807
    • Inchi: 1S/C6H6N2O4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H,(H2,7,11,12)
    • InChI Key: GNDKYAWHEKZHPJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1[N+](=O)[O-])(N)(=O)=O
    • BRN: 2214215

Computed Properties

  • Exact Mass: 202.00500
  • Monoisotopic Mass: 202.005
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 289
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.3
  • Topological Polar Surface Area: 114

Experimental Properties

  • Color/Form: crystallization
  • Density: 1.505 (estimate)
  • Melting Point: 192.0 to 196.0 deg-C
  • Boiling Point: 418.8℃ at 760 mmHg
  • Flash Point: 207.1°C
  • Refractive Index: 1.6490 (estimate)
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 114.36000
  • LogP: 2.54650
  • Solubility: Not determined

2-nitrobenzene-1-sulfonamide Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S36/37/39-S26-S22-S37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S37/39

2-nitrobenzene-1-sulfonamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

2-nitrobenzene-1-sulfonamide Pricemore >>

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2-nitrobenzene-1-sulfonamide Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:5455-59-4)2-Nitrobenzenesulfonamide
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Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
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Amadis Chemical Company Limited
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(CAS:5455-59-4)2-nitrobenzene-1-sulfonamide
Order Number:A830240
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Purity:99%
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Price ($):213.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:5455-59-4)2-硝基苯磺酰胺
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Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:29
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2-nitrobenzene-1-sulfonamide Related Literature

Additional information on 2-nitrobenzene-1-sulfonamide

Comprehensive Analysis of 2-Nitrobenzene-1-sulfonamide (CAS No. 5455-59-4): Properties, Applications, and Industry Trends

2-Nitrobenzene-1-sulfonamide (CAS No. 5455-59-4) is a specialized organic compound with a molecular formula of C6H6N2O4S. This nitro-substituted sulfonamide derivative has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound's sulfonamide functional group and nitro aromatic system contribute to its diverse reactivity, making it a valuable intermediate in synthetic chemistry.

Recent advancements in heterocyclic compound synthesis have highlighted the role of 2-nitrobenzene sulfonamide derivatives as key building blocks. Researchers are particularly interested in its potential for creating bioactive molecules, with studies showing promise in developing novel enzyme inhibitors. The electron-withdrawing nitro group at the ortho position significantly influences the compound's electronic properties, affecting its hydrogen bonding capacity and molecular interactions.

From an industrial perspective, 5455-59-4 has shown growing importance in specialty chemical manufacturing. Its applications extend to photoactive materials and organic semiconductors, aligning with current trends in green chemistry and sustainable synthesis. The compound's stability under various conditions makes it suitable for high-temperature reactions, a feature increasingly demanded in process chemistry optimization.

Analytical characterization of 2-nitrobenzene-1-sulfonamide typically involves advanced techniques such as HPLC purity analysis, mass spectrometry, and X-ray crystallography. These methods confirm the compound's structural integrity and help establish quality control parameters for industrial applications. Recent publications have focused on improving synthetic yield through catalytic methods, addressing common challenges in nitroaromatic chemistry.

The safety profile of CAS 5455-59-4 has been extensively studied, with proper handling procedures established for laboratory and industrial use. Current research emphasizes waste minimization strategies in its production, reflecting the chemical industry's shift toward environmentally friendly processes. These developments align with growing consumer interest in sustainable chemical solutions and green alternatives across multiple sectors.

Market analysis indicates rising demand for nitro-substituted sulfonamides in pharmaceutical intermediates and material science applications. The unique electronic properties of 2-nitrobenzene-1-sulfonamide make it particularly valuable for developing advanced functional materials, including organic electronic devices and smart coatings. These applications capitalize on the compound's photophysical characteristics and thermal stability.

Future research directions for 5455-59-4 include exploring its potential in medicinal chemistry and catalysis. The compound's ability to serve as a versatile synthon continues to attract interest from both academic and industrial researchers. With the growing emphasis on molecular diversity in drug discovery, nitrobenzene sulfonamide derivatives are expected to play an increasingly important role in developing next-generation therapeutics.

From a regulatory standpoint, manufacturers of 2-nitrobenzene-1-sulfonamide must comply with international standards for chemical safety and quality assurance. The compound's handling and storage require adherence to established industrial hygiene practices, ensuring safe utilization across various applications. These considerations are particularly important for companies operating in global supply chains and regulated industries.

Technological advancements in chemical synthesis automation have improved the production efficiency of nitroaromatic sulfonamides like 5455-59-4. Modern continuous flow chemistry systems demonstrate particular promise for scaling up production while maintaining reaction selectivity and product purity. These innovations address the pharmaceutical industry's need for reliable synthetic routes to complex intermediates.

In conclusion, 2-nitrobenzene-1-sulfonamide (CAS No. 5455-59-4) represents an important class of nitroaromatic compounds with wide-ranging applications. Its significance in organic synthesis, combined with emerging uses in advanced materials, positions this compound as a valuable asset in contemporary chemical research and industrial applications. Ongoing studies continue to reveal new dimensions of its chemical versatility and practical utility across multiple scientific disciplines.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:5455-59-4)2-Nitrobenzenesulfonamide
1619327
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:5455-59-4)2-nitrobenzene-1-sulfonamide
A830240
Purity:99%
Quantity:1kg
Price ($):213.0
Email