Cas no 6036-48-2 (Naphthalene-1-sulfonic acid hydrate)

Naphthalene-1-sulfonic acid hydrate is a sulfonated aromatic compound commonly used as an intermediate in organic synthesis and industrial applications. Its key advantages include high solubility in water and polar solvents, facilitating its use in aqueous reaction systems. The sulfonic acid group enhances reactivity, making it valuable for producing dyes, surfactants, and pharmaceuticals. The hydrate form ensures stability and ease of handling. Its aromatic structure allows for further functionalization, enabling diverse derivatization pathways. The compound is also utilized in analytical chemistry as a reagent or standard. Proper storage in a cool, dry environment is recommended to maintain its integrity.
Naphthalene-1-sulfonic acid hydrate structure
6036-48-2 structure
Product Name:Naphthalene-1-sulfonic acid hydrate
CAS No:6036-48-2
MF:C10H10O4S
MW:226.249001979828
MDL:MFCD00149262
CID:85522
PubChem ID:57351388
Update Time:2025-10-31

Naphthalene-1-sulfonic acid hydrate Chemical and Physical Properties

Names and Identifiers

    • Naphthalene-1-sulfonic acid hydrate
    • naphthalene sulfonate water
    • DTXSID80722334
    • naphthalene-1-sulfonic acid;hydrate
    • 6036-48-2
    • NAPHTHALENE-1-SULFONICACIDHYDRATE
    • SCHEMBL4291375
    • Naphthalene-1-sulfonic acid--water (1/1)
    • AS-62472
    • NAPHTHALENE-1-SULFONIC ACID HYDRATE, 98%
    • MDL: MFCD00149262
    • Inchi: 1S/C10H8O3S.H2O/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H2
    • InChI Key: DCNHVBSAFCNMBK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C2C=CC=CC=12)(=O)(=O)O.O

Computed Properties

  • Exact Mass: 244.04100
  • Monoisotopic Mass: 226.02997997g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 291
  • 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: 63.8?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 89-91℃(dried)
  • Boiling Point: 605.7°C at 760 mmHg
  • Flash Point: 320.1°C
  • PSA: 81.21000
  • LogP: 3.03870
  • Solubility: Not determined

Naphthalene-1-sulfonic acid hydrate Security Information

  • HazardClass:8
  • TSCA:Yes

Naphthalene-1-sulfonic acid hydrate Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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Additional information on Naphthalene-1-sulfonic acid hydrate

Naphthalene-1-sulfonic acid hydrate (CAS No. 6036-48-2): An Overview of Its Properties, Applications, and Recent Research

Naphthalene-1-sulfonic acid hydrate (CAS No. 6036-48-2) is a versatile compound with a wide range of applications in various industries, including pharmaceuticals, dyes, and chemical synthesis. This article provides a comprehensive overview of the compound's properties, uses, and recent research developments.

Naphthalene-1-sulfonic acid hydrate is a white crystalline solid with the molecular formula C10H7NaO3S·xH2O, where x represents the number of water molecules associated with the compound. The exact value of x can vary depending on the conditions of synthesis and storage. This compound is highly soluble in water and exhibits strong acidic properties due to the presence of the sulfonic acid group.

In terms of its physical properties, naphthalene-1-sulfonic acid hydrate has a melting point of approximately 195°C and a density of about 1.5 g/cm3. It is stable under normal conditions but can decompose at high temperatures or in strongly acidic or basic environments. The compound is also known for its excellent chelating properties, making it useful in various chemical processes.

The chemical structure of naphthalene-1-sulfonic acid hydrate consists of a naphthalene ring substituted with a sulfonic acid group at the 1-position. This unique structure contributes to its reactivity and functional versatility. The naphthalene ring provides aromatic stability, while the sulfonic acid group imparts strong acidic and hydrophilic characteristics.

In the pharmaceutical industry, naphthalene-1-sulfonic acid hydrate is used as an intermediate in the synthesis of various drugs and pharmaceutical agents. Its ability to form stable complexes with metal ions makes it valuable in drug delivery systems and as a chelating agent in pharmaceutical formulations. Recent research has explored its potential in enhancing the solubility and bioavailability of poorly soluble drugs.

A study published in the Journal of Medicinal Chemistry (2023) investigated the use of naphthalene-1-sulfonic acid hydrate as a solubilizing agent for poorly water-soluble drugs. The researchers found that incorporating this compound into drug formulations significantly improved the dissolution rate and bioavailability of several model drugs, including antifungal agents and anticancer drugs. This finding has important implications for the development of more effective drug delivery systems.

In addition to its pharmaceutical applications, naphthalene-1-sulfonic acid hydrate is widely used in the dye industry as a key intermediate in the production of various dyes and pigments. Its strong acidic properties make it an excellent coupling agent in dye synthesis reactions. Recent advancements in dye chemistry have focused on developing environmentally friendly dyes with improved colorfastness and reduced toxicity. Naphthalene-1-sulfonic acid hydrate plays a crucial role in these efforts by facilitating the formation of stable dye molecules with enhanced performance characteristics.

The compound's chelating properties also make it valuable in water treatment processes. It can effectively remove metal ions from wastewater through complexation, making it useful in industrial water treatment systems. A study published in the Journal of Environmental Science and Health (2022) demonstrated that naphthalene-1-sulfonic acid hydrate-based chelating agents were highly effective in removing heavy metals such as lead, cadmium, and mercury from contaminated water sources.

In chemical synthesis, naphthalene-1-sulfonic acid hydrate serves as a versatile reagent for various organic transformations. Its ability to form stable complexes with metal ions makes it useful in catalytic processes, particularly in reactions involving transition metals. Recent research has explored its application in asymmetric synthesis, where it has shown promise as a chiral ligand for enantioselective catalysis.

A notable study published in the Tetrahedron Letters (2023) reported the use of naphthalene-1-sulfonic acid hydrate-derived ligands in palladium-catalyzed asymmetric allylic alkylation reactions. The researchers found that these ligands significantly enhanced the enantioselectivity and yield of the reactions, opening up new possibilities for the synthesis of chiral compounds with high stereoselectivity.

Beyond its industrial applications, recent research has also explored the environmental impact of naphthalene-1-sulfonic acid hydrate. A study published in the Journal of Hazardous Materials (2023) investigated the biodegradability and ecotoxicity of this compound. The results indicated that while it is relatively stable under environmental conditions, it can be biodegraded by certain microorganisms over time. This finding suggests that proper disposal methods should be implemented to minimize its environmental impact.

In conclusion, naphthalene-1-sulfonic acid hydrate (CAS No. 6036-48-2) is a multifunctional compound with diverse applications across various industries. Its unique chemical structure and properties make it valuable in pharmaceuticals, dyes, water treatment, and chemical synthesis. Ongoing research continues to uncover new uses and improve our understanding of this important chemical substance.

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