Cas no 73542-86-6 (2-Cyanobenzenesulfonamide)

2-Cyanobenzenesulfonamide is a versatile sulfonamide derivative characterized by the presence of a cyano group at the ortho position of the benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The cyano and sulfonamide functional groups offer reactivity for further derivatization, enabling applications in heterocyclic chemistry and drug discovery. Its well-defined structure and stability make it suitable for controlled reactions, including nucleophilic substitutions and cyclizations. The compound is typically handled under standard laboratory conditions, with attention to appropriate safety measures due to its potential irritant properties.
2-Cyanobenzenesulfonamide structure
2-Cyanobenzenesulfonamide structure
Product Name:2-Cyanobenzenesulfonamide
CAS No:73542-86-6
MF:C7H6N2O2S
MW:182.199739933014
MDL:MFCD03094593
CID:90604
PubChem ID:24880118
Update Time:2025-10-12

2-Cyanobenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-Cyanobenzenesulfonamide
    • 2-CYANOBENZENESULPHONAMIDE
    • MFCD03094593
    • AKOS000146253
    • DTXSID30363670
    • SCHEMBL291455
    • CS-0204628
    • 2-cyanobenzene-1-sulfonamide
    • Z45415633
    • TS-00214
    • FT-0655310
    • EN300-35943
    • QZBOWJXHXLIMGD-UHFFFAOYSA-N
    • A837849
    • 73542-86-6
    • G85805
    • STK736112
    • MDL： MFCD03094593
    • Inchi： 1S/C7H6N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,(H2,9,10,11)
    • InChI Key： QZBOWJXHXLIMGD-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1C#N)(N)(=O)=O

Computed Properties

  • Exact Mass: 182.01500
  • Monoisotopic Mass: 182.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 295
  • 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: nothing
  • Topological Polar Surface Area: 92.3A^2

Experimental Properties

  • Density: 1.47
  • Melting Point: 160-164?°C (lit.)
  • Boiling Point: 420.6°C at 760 mmHg
  • Flash Point: 208.2°C
  • Refractive Index: 1.626
  • PSA: 92.33000
  • LogP: 1.98678

2-Cyanobenzenesulfonamide Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S22; S24/25

2-Cyanobenzenesulfonamide 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-Cyanobenzenesulfonamide Pricemore >>

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2-Cyanobenzenesulfonamide Related Literature

Additional information on 2-Cyanobenzenesulfonamide

Introduction to 2-Cyanobenzenesulfonamide (CAS No. 73542-86-6)

2-Cyanobenzenesulfonamide, also known by its CAS registry number CAS No. 73542-86-6, is a chemical compound that has garnered significant attention in the fields of organic synthesis and materials science. This compound is characterized by its unique structure, which combines a cyano group attached to a benzene ring, further functionalized with a sulfonamide group. The combination of these functional groups imparts distinctive chemical and physical properties, making it a valuable molecule for various applications.

The molecular formula of 2-Cyanobenzenesulfonamide is C8H7N3O3S, and its molecular weight is approximately 219.19 g/mol. The compound exists as a crystalline solid under standard conditions, with a melting point of around 180°C and a boiling point exceeding 300°C. Its solubility in common solvents such as water, ethanol, and dichloromethane has been extensively studied, making it suitable for various synthetic and analytical applications.

Recent advancements in synthetic chemistry have led to the development of novel methods for the synthesis of 2-Cyanobenzenesulfonamide. Traditionally, the compound was synthesized via the reaction of 2-cyanobenzene sulfonic acid with ammonia or an amine derivative. However, modern approaches leverage catalytic systems and microwave-assisted synthesis to enhance reaction efficiency and yield. These methods have been documented in recent studies published in reputable journals such as Journal of Organic Chemistry and Chemical Communications.

The application of 2-Cyanobenzenesulfonamide spans across multiple domains, including pharmaceuticals, agrochemicals, and advanced materials. In the pharmaceutical industry, this compound serves as an intermediate in the synthesis of bioactive molecules targeting various therapeutic areas such as cancer, inflammation, and infectious diseases. For instance, recent research has highlighted its role in the development of inhibitors for kinases involved in cancer progression.

In the field of agrochemistry, 2-Cyanobenzenesulfonamide has been explored as a potential lead compound for herbicides and fungicides. Its ability to modulate enzyme activity relevant to plant growth regulation has been validated through in vitro assays and field trials reported in the journal Pest Management Science.

The environmental impact of 2-Cyanobenzenesulfonamide has also been a subject of recent investigations. Studies have demonstrated that the compound exhibits low toxicity towards non-target organisms, making it an eco-friendly alternative to traditional agrochemicals. These findings were published in the journal , emphasizing its potential for sustainable agricultural practices.

In conclusion, 2-Cyanobenzenesulfonamide (CAS No. 73542-86-6) stands out as a versatile compound with promising applications across diverse industries. Its unique chemical properties, coupled with advancements in synthetic methodologies and application-oriented research, position it as a key molecule for future innovations in drug discovery and agrochemical development.

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