Cas no 63995-75-5 (3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt)

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt is a water-soluble phosphine ligand widely used in transition metal-catalyzed reactions, particularly in aqueous-phase catalysis. Its sulfonate group enhances solubility in polar solvents, while the diphenylphosphino moiety facilitates coordination with metal centers, enabling efficient catalytic activity. This compound is valued for its stability, ease of handling, and compatibility with environmentally friendly reaction conditions. It finds applications in cross-coupling, hydrogenation, and hydroformylation reactions, offering improved selectivity and yields. The sodium salt form ensures consistent performance in both homogeneous and biphasic systems, making it a versatile choice for industrial and academic research in organometallic chemistry.
3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt structure
63995-75-5 structure
Product Name:3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt
CAS No:63995-75-5
MF:C18H14NaO3PS
MW:364.330495357513
MDL:MFCD00144157
CID:502802
PubChem ID:23668331
Update Time:2025-11-07

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonicacid, 3-(diphenylphosphino)-, sodium salt (1:1)
    • Sodium Diphenylphosphinobenzene-3-sulfonate
    • diphenylphosphanyl benzenesulfonate,sodium
    • DIPHENYLPHOSPHINOBENZENE-3-SULFONIC ACID SODIUM SALT
    • Triphenylphosphine-3-sulfonic Acid Sodium Salt
    • Sodium 3-(diphenylphosphino)benzenesulfonate
    • TPPMS
    • 3-(Diphenylphosphino)benzenesulfonic acid sodium salt
    • Benzenesulfonic acid, 3-(diphenylphosphino)-, sodium salt
    • NTUROZDXWLPVHB-UHFFFAOYSA-M
    • SodiumDiphenylphosphinobenzene-3-sulfonate
    • sodium;3-diphenylphosphanylbenzenesulfonate
    • sodium m-(diphenylphosphino)benzenesulfonate
    • D2
    • 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt
    • MDL: MFCD00144157
    • Inchi: 1S/C18H15O3PS.Na/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-14H,(H,19,20,21);/q;+1/p-1
    • InChI Key: NTUROZDXWLPVHB-UHFFFAOYSA-M
    • SMILES: S(C1=CC=CC(=C1)P(C1C=CC=CC=1)C1C=CC=CC=1)(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 364.03000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 449
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 65.6

Experimental Properties

  • Color/Form: Solids
  • PSA: 79.17000
  • LogP: 3.42970
  • Solubility: Not determined

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3261 8/PG 3
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S22-S26-S45-S36-S37-S39
  • FLUKA BRAND F CODES:10-23
  • Hazardous Material Identification: C
  • Risk Phrases:R34
  • HazardClass:8
  • PackingGroup:

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt Customs Data

  • HS CODE:2904100000
  • Customs Data:

    China Customs Code:

    2904100000

    Overview:

    2904100000 Derivatives containing only sulfo groups and their salts and ethyl esters.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2904100000 derivatives containing only sulpho groups, their salts and ethyl esters.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt Production Method

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:63995-75-5)3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt
Order Number:A914940
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:54
Price ($):637.0/170.0

Additional information on 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt

Comprehensive Guide to 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt (CAS No. 63995-75-5)

3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt (CAS No. 63995-75-5) is a highly versatile organophosphorus compound widely used in catalysis, organic synthesis, and material science. Its unique structure, combining a phosphine group with a sulfonate moiety, makes it an excellent ligand for transition metal catalysts. Researchers and industries value this compound for its water solubility, stability, and ability to facilitate green chemistry applications. With the growing demand for sustainable chemical processes, this compound has gained significant attention in recent years.

The 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt is particularly notable for its role in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions. These reactions are pivotal in pharmaceutical and agrochemical manufacturing, aligning with the global push for eco-friendly synthesis. Its sodium salt form enhances solubility in aqueous media, enabling biphasic catalysis—a key trend in reducing organic solvent usage. This feature addresses the rising interest in water-based catalytic systems, a hot topic in academic and industrial research.

Another critical application of CAS No. 63995-75-5 lies in asymmetric hydrogenation, where it acts as a chiral auxiliary. The compound’s diphenylphosphino group coordinates with metals like rhodium and ruthenium, enabling enantioselective transformations. This property is invaluable for producing optically active intermediates in drug development, meeting the pharmaceutical industry’s demand for high-purity chiral compounds. Recent studies also explore its potential in nanoparticle stabilization, further broadening its utility.

From a safety and handling perspective, 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt is classified as a stable, non-hazardous material under standard conditions. Its compatibility with aqueous solutions and air stability simplifies storage and transportation, making it a practical choice for large-scale applications. However, users should follow general laboratory precautions to avoid unnecessary exposure. The compound’s MSDS (Material Safety Data Sheet) provides detailed guidelines for safe usage.

In the context of SEO optimization, this compound is frequently searched alongside terms like "water-soluble phosphine ligands", "sulfonated phosphine catalysts", and "CAS 63995-75-5 applications". These long-tail keywords reflect the compound’s niche yet growing relevance in specialized fields. Additionally, queries such as "alternative to triphenylphosphine in catalysis" highlight its role as a sustainable substitute for traditional ligands. By addressing these search trends, this article enhances visibility while providing actionable insights.

Looking ahead, 3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt is poised to play a pivotal role in advancing green chemistry and catalytic innovation. Its adaptability to aqueous systems, combined with robust catalytic performance, aligns with global sustainability goals. As industries prioritize cost-effective and environmentally benign processes, this compound will likely see expanded adoption. For researchers and manufacturers, understanding its properties and applications is essential for staying at the forefront of chemical innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:63995-75-5)3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt
A914940
Purity:99%/99%
Quantity:5g/1g
Price ($):637.0/170.0
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