Cas no 15946-36-8 (sodium 2-chlorobenzene-1-sulfinate)

sodium 2-chlorobenzene-1-sulfinate structure
15946-36-8 structure
Product Name:sodium 2-chlorobenzene-1-sulfinate
CAS No:15946-36-8
MF:C6H4ClNaO2S
MW:198.602530479431
CID:1031687
PubChem ID:23719078
Update Time:2025-07-20

sodium 2-chlorobenzene-1-sulfinate Chemical and Physical Properties

Names and Identifiers

    • Sodium 2-chlorobenzenesulfinate
    • Sodium 2-chlorobenzenesulfite
    • 2-Chlorobenzenesulfinic acid sodium salt
    • sodium 2-chlorobenzene-1-sulfinate
    • sodium chlorobenzenesulfinate
    • EN300-105395
    • MFCD11618026
    • UTTKMJVQWOVAIH-UHFFFAOYSA-M
    • sodium;2-chlorobenzenesulfinate
    • Sodium2-chlorobenzenesulfinate
    • CS-0308026
    • F72487
    • AKOS006318702
    • 15946-36-8
    • Benzenesulfinic acid, 2-chloro-, sodium salt (1:1)
    • SCHEMBL1465305
    • DTXSID10635807
    • MDL: MFCD11618026
    • Inchi: 1S/C6H5ClO2S.Na/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1
    • InChI Key: UTTKMJVQWOVAIH-UHFFFAOYSA-M
    • SMILES: ClC1C=CC=CC=1S(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 197.95200
  • Monoisotopic Mass: 197.9518225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 145
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • PSA: 59.34000
  • LogP: 2.44370

sodium 2-chlorobenzene-1-sulfinate Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

sodium 2-chlorobenzene-1-sulfinate Pricemore >>

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sodium 2-chlorobenzene-1-sulfinate Production Method

Additional information on sodium 2-chlorobenzene-1-sulfinate

Comprehensive Overview of Sodium 2-Chlorobenzene-1-sulfinate (CAS No. 15946-36-8): Properties, Applications, and Industry Insights

Sodium 2-chlorobenzene-1-sulfinate (CAS No. 15946-36-8) is a specialized organic compound widely recognized for its role as a versatile intermediate in chemical synthesis. With the molecular formula C6H4ClNaO2S, this white to off-white crystalline powder is a sulfinate derivative of chlorobenzene, offering unique reactivity in nucleophilic and redox reactions. Its sulfinate functional group (-SO2Na) and chloro-substituted aromatic ring make it valuable for constructing complex molecules in pharmaceuticals, agrochemicals, and material science.

In recent years, the demand for sodium 2-chlorobenzene-1-sulfinate has surged due to its applications in cross-coupling reactions, a hot topic in synthetic chemistry. Researchers frequently search for "efficient sulfinate reagents" or "chlorobenzene sulfinate uses" to optimize protocols for C-S bond formation. The compound’s compatibility with photocatalysis and transition-metal catalysis aligns with the industry’s shift toward sustainable methodologies, addressing queries like "green chemistry alternatives for sulfonation."

The thermal stability and water solubility of 15946-36-8 further enhance its utility in aqueous-phase reactions, a growing trend to reduce organic solvent waste. Analytical techniques such as HPLC and NMR spectroscopy confirm its high purity (>98%), a critical factor for pharmaceutical manufacturers seeking "high-purity sulfinate suppliers." Additionally, its role in synthesizing sulfone-containing drugs has sparked interest, as sulfones are pivotal in anti-inflammatory and antimicrobial agents.

From an industrial perspective, sodium 2-chlorobenzene-1-sulfinate is often discussed alongside "cost-effective synthetic routes" and "scalable production." Innovations in flow chemistry have enabled continuous manufacturing, reducing batch variability—a key concern for quality control. Regulatory compliance (e.g., REACH, USP) and supply chain transparency are also frequently searched topics, reflecting the compound’s integration into global markets.

In material science, this sulfinate’s ability to modify polymer surfaces or generate self-assembled monolayers (SAMs) has attracted attention for electronic device fabrication. Searches for "sulfinate-based surface modifiers" highlight its niche in nanotechnology. Furthermore, its low toxicity profile (as per OECD guidelines) makes it preferable over traditional sulfonyl chlorides, aligning with "safer chemical alternatives" trends.

To conclude, CAS No. 15946-36-8 exemplifies how functionalized aromatics bridge academic research and industrial applications. Its relevance in drug discovery, green synthesis, and advanced materials ensures continued interest, with optimization of "storage conditions for sulfinate salts" and "handling best practices" remaining active discussion points among chemists worldwide.

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