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Benzenesulfonic acid sodium salt, also known as sodium benzenesulfonate, is an off-white crystalline powder with unique chemical properties. It is a derivative of benzenesulfonic acid, where a hydrogen atom is replaced by a sodium ion, resulting in a negatively charged sulfonate group and a positively charged sodium ion.

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  • 515-42-4 Structure
  • Basic information

    1. Product Name: Benzenesulfonic acid sodium salt
    2. Synonyms: SODIUM BENZENESULFONATE, PURIFIED;Benzenesulfonic acid sodium;SodiuM benzenesulfonat;Benzenesulfonic Acid SodiuM Salt, 97+%;Sodium benzenesulfonate Vetec(TM) reagent grade, 97%;sodiumbenzenemonosulfate;sodiumbenzenemonosulfonate;sodiumbenzosulfonate
    3. CAS NO:515-42-4
    4. Molecular Formula: C6H5O3S*Na
    5. Molecular Weight: 180.16
    6. EINECS: 208-198-2
    7. Product Categories: Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfonic/Sulfinic Acid Salts;Sulfur Compounds;Intermediates of Dyes and Pigments
    8. Mol File: 515-42-4.mol
  • Chemical Properties

    1. Melting Point: 450 °C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: White to off-white/Crystalline Powder
    5. Density: 1.124 g/mL at 25 °C(lit.)
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: water: soluble
    9. Water Solubility: soluble
    10. Sensitive: Hygroscopic
    11. Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents.
    12. Merck: 14,1070
    13. BRN: 3918459
    14. CAS DataBase Reference: Benzenesulfonic acid sodium salt(CAS DataBase Reference)
    15. NIST Chemistry Reference: Benzenesulfonic acid sodium salt(515-42-4)
    16. EPA Substance Registry System: Benzenesulfonic acid sodium salt(515-42-4)
  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 22-36/37/38
    3. Safety Statements: 26-24/25-22
    4. WGK Germany: 3
    5. RTECS: DB7350000
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 515-42-4(Hazardous Substances Data)

515-42-4 Usage

Uses

Used in Raman Spectroscopic Determination:
Benzenesulfonic acid sodium salt is used as a reagent for Raman spectroscopic determination of molecular structural features in sulfonated polystyrene resins. Its unique chemical properties allow for the accurate identification and analysis of these resins' molecular structures.
Used in Electrochemistry:
In the field of electrochemistry, benzenesulfonic acid sodium salt is used as an electrolyte in the formation of polypyrrole coatings with varying surface morphology on stainless steel. Its presence enhances the electrochemical properties of the coatings, leading to improved performance in various applications.
Used in Synthesis of Ionic Liquids:
Benzenesulfonic acid sodium salt is utilized in the synthesis of 1-butyl-3-propanenitrile imidazolium benzenesulfonate, an ionic liquid with potential applications in various industries. Its role in the synthesis process contributes to the development of novel ionic liquids with specific properties and uses.
Used in Chemical Synthesis:
Benzenesulfonic acid sodium salt is also employed as an intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique chemical properties make it a valuable component in the development of new molecules with specific applications in different industries.
Used in Water Treatment:
In the water treatment industry, benzenesulfonic acid sodium salt is used as a component in the formulation of water treatment chemicals. Its ability to form complexes with various ions makes it effective in removing impurities and contaminants from water, ensuring clean and safe water supply.
Used in Dye Manufacturing:
Benzenesulfonic acid sodium salt is used as a starting material in the manufacturing of certain dyes and pigments. Its chemical properties allow for the production of dyes with specific color characteristics and stability, making it an essential component in the dye industry.

Purification Methods

Crystallise it from EtOH or aqueous 70-100% MeOH, and dry it under a vacuum at 80-100o. [Beilstein 11 H 28, 11 I 10, 11 II 18, 11 III 33, 11 IV 27.]

Check Digit Verification of cas no

The CAS Registry Mumber 515-42-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,1 and 5 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 515-42:
(5*5)+(4*1)+(3*5)+(2*4)+(1*2)=54
54 % 10 = 4
So 515-42-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1

515-42-4 Well-known Company Product Price

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  • Vetec

  • (V900668)  Sodiumbenzenesulfonate  Vetec reagent grade, 97%

  • 515-42-4

  • V900668-100G

  • 187.20CNY

  • Detail
  • Aldrich

  • (147281)  Sodiumbenzenesulfonate  97%

  • 515-42-4

  • 147281-25G

  • 506.61CNY

  • Detail

515-42-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzenesulfonic Acid Sodium Salt

1.2 Other means of identification

Product number -
Other names Benzenesulfonic acid, sodium salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:515-42-4 SDS

515-42-4Relevant articles and documents

Quantitative Treatment of Micellar Effects upon the Nucleophilicity of Halide Ions

Al-Lohedan, Hamad,Bunton, Clifford A.,Moffatt, John R.

, p. 332 - 335 (1983)

Nucleophilic attack upon methyl benzenesulfonate (1) by Cl- or Br- occurs readily in aqueous cetyltrimethylammonium chloride or bromide (CTACl or CTABr, respectively).The increase of rate constant with can be analyzed in terms of the concentration of 1 and halide ion in the micellar pseudophase, and the second-order rate constants in micellar and aqueous pseudophases are similar.

Removal of Alkyl Sulfonates Using DABCO

Corazzata, Kaitlyn,Langston, Alexander,Lee, Elaine C.,Mo, Shunyan,Rose, Peter J.,Snodgrass, Joseph

, (2021/11/30)

During the route development of a midstage clinical candidate, we were challenged with a presence of alkyl sulfonates, which were identified as potential genotoxic impurities in our active pharmaceutical ingredient (API). As a result, we initiated a development effort to identify a method to remove the alkyl sulfonates that would be amenable for scale-up. Herein, we report our effort toward the development of a general approach using DABCO (1,4-diazabicyclo[2.2.2]octane) to remove alkyl sulfonates that is both efficient and convenient from the bench to scale-up.

Chan-Lam-Type C-S Coupling Reaction by Sodium Aryl Sulfinates and Organoboron Compounds

Lam, Long Yin,Ma, Cong

supporting information, p. 6164 - 6168 (2021/08/16)

A Chan-Lam-Type C-S coupling reaction using sodium aryl sulfinates has been developed to provide diaryl thioethers in up to 92% yields in the presence of a copper catalyst and potassium sulfite. Both electron-rich and electron-poor sodium aryl sulfinates and diverse organoboron compounds were tolerated for the synthesis of aryl and heteroaryl thioethers and dithioethers. The mechanistic study suggested that potassium sulfite was involved in the deoxygenation of sulfinate through a radical process.

Fabrication of silver-modified halloysite nanotubes and their catalytic performance in rhodamine 6G and methyl orange reduction

Akhondi, Maryam,Jamalizadeh, Effat

, p. 136 - 144 (2019/04/13)

Halloysite nanotube supported Ag nanoparticles (Ag/HNT) as catalyst for reduction of Rhodamine 6G (Rh6G) and Methyl orange (MO) have been synthesized and tested. 3-glycidyloxyproyltrimethoxysilane and Triethylene tetramine were successfully utilized to mo

Functional Hyper-Crosslinked Polypyrene for Reductive Decolorization of Industrial Dyes and Effective Mercury Removal from Aqueous Media

Varyambath, Anuraj,Song, Wen L.,Kim, Il

, p. 1078 - 1087 (2018/11/23)

A rigid and valuable hyper-crosslinked polymer (HCP) has been synthesized from the polycyclic aromatic hydrocarbon pyrene: hyper-crosslinked polypyrene (HCPPy). HCPPy was prepared through a simple one-step Friedel-Crafts alkylation reaction that involves ZnBr2-catalyzed crosslinking in the presence of an external crosslinker, bromomethyl methyl ether (BME). Interestingly, the unreacted bromomethyl groups (?CH2Br) on the surface of HCPPy could be quantified, which later aided in modification as per our requirement. We aimed at modifying with disulfide-containing cystamine dihydrochloride (Cys-HCPPy). Cys-HCPPy exhibited an extended π-conjugated system with uniform (~1 μm diameter) morphology and high porosity (specific surface area: 445 m2 g?1). As a fundamental application, the Cys-HCPPy composite was used as a sorbent to remove Hg2+ ions from aqueous media. Thus, at pH 6, the adsorption capacity for mercury ions reached 1124.82 mg g?1 after 24 h. Furthermore, the immobilization of Ag nanoparticles on the surface of Cys-HCPPy (Ag@Cys-HCPPy) enhanced the catalytic properties, which allowed for the reductive decolorization of industrial dyes such as methylene blue, methyl orange, and Congo Red in the presence of NaBH4 as a reducing agent.

Energy and environmental applications of ultrasonically sulfur doped copper-nickel hydroxides with heterostructures

Karthik, Namachivayam,Edison, Thomas Nesakumar Jebakumar Immanuel,Atchudan, Raji,Sethuraman, Mathur Gopalakrishnan

supporting information, p. 126 - 136 (2017/09/22)

A series of sulfur doped copper-nickel hydroxides with heterojunctions were successfully fabricated on nickel foam by adjusting thiourea volume via a facile sonochemical pathway. The effect of volume of thiourea on the final morphology and chemical composition of the hybrids were also investigated by field-emission scanning electron microscopy, and X-ray photoelectron spectroscopy analyses. Furthermore, the electrochemical performance and catalytic activity of the as-obtained hybrids were also investigated. Among the tested electrode, the hybrid material fabricated using 6 ml of thiourea (TU-6) showed outstanding electrochemical properties comprising a high specific capacitance of about 2708 F g?1 at 5 A g?1. In addition, the TU-6 hybrid (catalyst) material displayed remarkable reductive degradation ability towards azo dyes viz., methyl orange (within 8 min) and congo red (within 20 min) in the presence of sodium borohydride (reducing agent) with fast kinetics and good reproducibility, respectively. The exceptional electrochemical performance and excellent catalytic activity of TU-6 hybrid electrode may be attributed to the formation of catalytically active sulfur doped copper-nickel hydroxides (CuS/Ni3S2/NiOOH) three-interface synergistic effect, and unique porous micro-rosette-like texture which increased the diffusion rate and adsorption capacity. The adopted strategy is a simple and generic way for material fabrication to solve the energy and environmental problems.

Green synthesis of palladium/titanium dioxide nanoparticles and their application for the reduction of methyl orange, congo red and rhodamine B in aqueous medium

Maham, Mehdi,Nasrollahzadeh, Mahmoud,Bagherzadeh, Mojtaba,Akbari, Reza

, p. 787 - 795 (2018/04/24)

Objective: Palladium nanoparticles (Pd NPs) supported on the TiO2 NPs were prepared using Euphorbia thymifolia L. leaf extract. The Pd/TiO2 NPs were characterized by FESEM, EDS, TEM and XRD analysis and were used as nanocatalysts for the reduction of a variety of organic dyes. To the best of the author’s knowledge, this study explains the first report to the synthesis of Pd/TiO2 NPs using Euphorbia thymifolia L. leaf extract. Method: 1.0 G of TiO2 was dispersed in 40 mL of 0.3 Mm PdCl2 solution and sonicated for 30 min. Then, 20 mL of the plant extract was mixed under continuous stirring at 60 °C for 2 h. The prepared Pd/TiO2 NPs were centrifuged, washed and then dried. Results: FESEM imaging showed the formation of NPs in the size range of 19-29 nm. The Pd/TiO2 NPs exhibited high activity towards the reduction of Methyl Orange, Congo red and Rhodamine B in the presence of NaBH4 in aqueous medium during 4, 1 and 54 s, respectively. Conclusion: The synthesis of the Pd/TiO2 NPs by this route is rapid, simple, less time consuming, environmentally safe and compatibility for medical and pharmaceutical applications because of minimizing the use of toxic or hazardous organic solvents and reagents. Furthermore, the biosyenthesized nanocatalyst can catalyze the reduction of organic dyes during short-time and can be recovered and recycled several times without significant loss of activity.

Highly efficient and simultaneous catalytic reduction of multiple dyes using recyclable RGO/Co dendritic nanocomposites as catalyst for wastewater treatment

Sahoo, Prasanta Kumar,Thakur, Dinbandhu,Bahadur,Panigrahy, Bharati

, p. 106723 - 106731 (2016/11/25)

Development of a low cost, highly efficient and easily retrievable catalyst with improved reusability is a major challenge in the area of advanced catalysts. In this study, we report a simple one-step approach for the fabrication of a reduced graphene oxide (RGO)/Co dendritic nanocomposite. The structure and morphology of the as synthesized material are thoroughly examined by XRD, Raman, FTIR, TEM, and SEM. The magnetic properties of the RGO/Co dendritic nanocomposite reveal that it exhibits ferromagnetic behavior at room temperature with high saturation magnetization. The catalytic activity of the RGO/Co dendritic nanocomposite was investigated for the reduction of different dyes namely, 4-nitrophenol, methylene blue, methyl orange and rhodamine B individually, and their mixture in the presence of a sufficient amount of NaBH4. RGO/Co dendritic nanocomposite exhibits excellent catalytic activity as compared to the bare Co dendritic structure. The catalyst could be easily separated by an external magnet and recycled magnetically with no major loss of catalytic activity upto five cycles. The high catalytic efficiency, low cost and easy recycle technique make RGO/Co dendritic nanocomposite a proficient catalyst for degradation of organic dyes.

(E)-Specific direct Julia-olefination of aryl alcohols without extra reducing agents promoted by bases

Yao, Chuan-Zhi,Li, Qiang-Qiang,Wang, Mei-Mei,Ning, Xiao-Shan,Kang, Yan-Biao

supporting information, p. 7729 - 7732 (2015/05/12)

An unprecedented base-promoted direct olefination of aryl alcohols with sulfones via a Julia-type reaction has been described. No extra reductants are needed for Julia reaction since alcohols work as double sources of aldehydes and the hydride. Generally high yields were given for both terminal and highly (E)-selective internal olefins.

Recycled carbon (RC) materials made functional: An efficient heterogeneous Mn-RC catalyst

Seristatidou,Mavrogiorgou,Konstantinou,Louloudi,Deligiannakis

, p. 84 - 92 (2015/04/14)

Abstract A MnII-Schiff-base catalyst was synthesized and covalently immobilized onto Pyrolytic Carbon surface from waste tyres (PCox), resulting in the heterogeneous catalyst MnII-L@PCox which was evaluated for degradation of methyl orange (MO) using NaIO4 as oxidant. Importantly, no additive as co-catalyst was needed. For comparison, a reference heterogeneous catalyst MnII-L@ACox was also tested, using Activated Carbon (ACox) as carbon matrix. The catalytic and recyclability data of MnII-L@PCox catalyst demonstrate that it is superior, in terms of TONs and TOFs vs. MnII-L@ACox. To study the reaction path, electron paramagnetic resonance spectroscopy was used to monitor the redox evolution of the Mn-centers. Furthermore, a full mapping of the catalytic degradation of MO and product formation was carried out using LC-MS and HPLC. Combining catalytic and spectroscopic data we discuss the protective effect of the PCox matrix on Mn-centers; it allows their rapid redox evolution to higher oxidation states.

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