Cas no 127-68-4 (sodium 3-nitrobenzenesulfonate)

Sodium 3-nitrobenzenesulfonate is a sulfonic acid derivative offering high reactivity as an electrophile and excellent solubility in water, facilitating applications in organic synthesis. Its strong acidic properties enable efficient catalytic activity in various reactions, such as nucleophilic aromatic substitution, making it a valuable intermediate for the production of pharmaceuticals, dyes, and other fine chemicals.
sodium 3-nitrobenzenesulfonate structure
127-68-4 structure
Product Name:sodium 3-nitrobenzenesulfonate
CAS No:127-68-4
MF:C6H4NNaO5S
MW:225.15
MDL:MFCD00007490
CID:36190
PubChem ID:31389
Update Time:2025-12-10

sodium 3-nitrobenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 3-Nitrobenzenesulfonic Acid Sodium Salt
    • META NITRO BENZENE SULFONIC ACID SODIUM SALT
    • M-NITROBENZENESULFONIC ACID, NA SALT
    • M-NITROBENZENESULFONIC ACID SODIUM SALT
    • NITROBENZENESULFONIC(M-) ACID, SODIUM SALT
    • RESIST SALT
    • SODIUM 3-NITROBENZENESULFONATE
    • Sodium 3-nitrobenzenesulphonate
    • SODIUM M-NITROBENZENESULFONATE
    • Benzenesulfonicacid,3-nitro-,sodiumsalt
    • ludigol
    • ludigolf,60
    • LudigolS
    • m-nitrobenzenesulfonic
    • m-Nitrobenzenesulfonicacid,s
    • m-nitro-benzenesulfonicacisodiumsalt
    • nitrobenzen-m-sulfonansodny
    • nitrobenzen-m-sulfonansodny(czech)
    • nitrols
    • 3-Nitrobenzenesulfonate
    • sodium salt, m-nitrobenzene sulphonate
    • SodiuM-M-nitrobenzene sulfonate
    • Stannic sulfate
    • SMNBS
    • tiskan
    • Ludigo
    • P35522BE
    • P35522LS
    • resist S
    • RESERVOL-P
    • 1-Chloro-2-nitrobenzene
    • Ludigol F,60
    • DB-041868
    • F1113-0115
    • sodium 3-nitro-benzene sulfonate
    • Benzenesulfonic acid, 3-nitro-, sodium salt
    • 3Nitrobenzenesulfonic acid, sodium salt
    • sodium m-nitrobenzene-sulphonate
    • m-Nitrobenzenesulfonic acid, sodium salt
    • AKOS015900868
    • 1F11SXJ4C6
    • Nitrobenzen-m-sulfonan sodny [Czech]
    • N0141
    • sodium 3-nitro-benzenesulfonate
    • 3-nitrobenzene sulphonic acid sodium salt
    • SODIUM M-NITROBENZENESULFONATE [INCI]
    • 3-nitro-phenylsulfonic acid sodium salt
    • DTXCID107048
    • EC 204-857-3
    • 3-nitrobenzene sulfonic acid sodium salt
    • sodium 3-nitrobenzene sulphonate
    • Nitrol S
    • SCHEMBL340713
    • NITROBENZEN-M-SULFONAN SODNY (CZECH)
    • NS00078117
    • EINECS 204-857-3
    • UNII-1F11SXJ4C6
    • 3-nitro-benzenesulfonic acid sodium salt
    • sodium m-nitrobenzenesulphonate
    • Sodium3-nitrobenzenesulphonate
    • Tiskan [Czech]
    • CAS-127-68-4
    • NSC-9795
    • DTXSID2027048
    • Nitrobenzen-m-sulfonan sodny
    • 3-nitrobenzene sulfonate sodium salt
    • EN300-142340
    • sodium m-nitrobezene sulfonate
    • W-108378
    • sodium 3-nitrobenzene-1-sulfonate
    • Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)
    • m-nitrobenzene sulphonic acid sodium salt
    • Nacan
    • Tox21_200902
    • Sodium mnitrobenzenesulfonate
    • Benzenesulfonic acid, m-nitro-, sodium salt
    • CHEMBL3188704
    • sodium 3-nitrophenylsulfonate
    • 3-nitro benzenesulfonic acid sodium salt
    • 3-Nitrobenzenesulfonic acid, sodium salt
    • Benzenesulfonic acid, 3nitro, sodium salt
    • AC-11596
    • MFCD00007490
    • 127-68-4
    • m-nitrobenzene sulfonic acid sodium salt
    • mNitrobenzenesulfonic acid sodium salt
    • TISKAN (CZECH)
    • Benzenesulfonic acid, mnitro, sodium salt
    • sodium;3-nitrobenzenesulfonate
    • NSC 9795
    • Benzenesulfonic acid, m-nitro-, sodium salt (8CI); 3-Nitrobenzenesulfonic acid sodium salt
    • Sodium 3-nitrobenzenesulfonate, 98%
    • NCGC00258456-01
    • Nitrobenzenmsulfonan sodny
    • sodium 3-nitrobenzene sulfonate
    • SODIUM 3-NITROBENZENESULFONATE [HSDB]
    • 3-nitrobenzensulfonic acid sodium salt
    • HSDB 5614
    • Q27252345
    • sodium m-nitrobenzene sulfonate
    • AS-12915
    • sodium 3-nitrobenzenesulfonate
    • MDL: MFCD00007490
    • Inchi: 1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
    • InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M
    • SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 224.97100
  • Monoisotopic Mass: 224.971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 274
  • 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: 111A^2

Experimental Properties

  • Color/Form: White to yellow crystals or uniform powder
  • Density: 1.6370
  • Melting Point: 350 oC
  • Boiling Point: 217.5°C
  • Flash Point: Fahrenheit: 212 ° f
    Celsius: 100 ° c
  • PH: 8 (50g/l, H2O, 23℃)
  • Solubility: water: soluble50mg/mL, clear to slightly hazy, faintly yellow to yellow
  • Water Partition Coefficient: 200 g/L (20 oC)
  • Stability/Shelf Life: Stable. Hygroscopic. Incompatible with strong oxidizing agents.
  • PSA: 111.40000
  • LogP: 2.10290
  • Sensitiveness: Hygroscopic
  • Solubility: 200 g/L (20 oC)

sodium 3-nitrobenzenesulfonate Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H317,H319
  • Warning Statement: P280,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:1
  • Hazard Category Code: 36-43
  • Safety Instruction: S24-S26-S37
  • RTECS:DB7195000
  • Hazardous Material Identification: Xi
  • TSCA:Yes
  • Storage Condition:Inert atmosphere,Room Temperature(BD88530)
  • Risk Phrases:R36; R43
  • Safety Term:S24;S26;S37

sodium 3-nitrobenzenesulfonate Customs Data

  • HS CODE:2904209090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

sodium 3-nitrobenzenesulfonate Pricemore >>

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sodium 3-nitrobenzenesulfonate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:127-68-4)3-Nitrobenzenesulfonic Acid Sodium Salt
Order Number:LE4244;LE1757701
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:45
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:127-68-4)Sodium 3-nitrobenzenesulphonate
Order Number:sfd9226
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally

sodium 3-nitrobenzenesulfonate Spectrogram

13C NMR
13C NMR
1H NMR 300 MHz DMSO
1H NMR

sodium 3-nitrobenzenesulfonate Related Literature

Additional information on sodium 3-nitrobenzenesulfonate

Introduction to Sodium 3-Nitrobenzenesulfonate (CAS No. 127-68-4)

Sodium 3-nitrobenzenesulfonate (CAS No. 127-68-4) is a versatile sulfonate derivative that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its nitro and sulfonate functional groups, exhibits a range of chemical properties that make it valuable in various applications, particularly in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

The molecular structure of sodium 3-nitrobenzenesulfonate consists of a benzene ring substituted with a nitro group at the 3-position and a sulfonate group at the 4-position. This arrangement imparts unique reactivity and solubility characteristics, making it a preferred intermediate in organic synthesis. The presence of both electron-withdrawing nitro and sulfonate groups enhances its utility in various chemical transformations, including nucleophilic substitution reactions, coupling reactions, and polymerization processes.

In recent years, sodium 3-nitrobenzenesulfonate has been extensively studied for its role in pharmaceutical development. Its derivatives have been explored as intermediates in the synthesis of active pharmaceutical ingredients (APIs) due to their ability to undergo selective functionalization. For instance, researchers have leveraged the reactivity of the nitro group to introduce further modifications, leading to the development of novel therapeutic agents targeting various diseases.

One notable application of sodium 3-nitrobenzenesulfonate is in the production of advanced materials. The compound's ability to act as a sulfonating agent has been utilized in the synthesis of sulfonic acid-based polymers and catalysts. These materials are finding applications in fuel cells, water treatment systems, and corrosion inhibitors due to their excellent stability and chemical resistance.

The solubility profile of sodium 3-nitrobenzenesulfonate in both polar and non-polar solvents makes it a valuable component in formulating solutions for industrial processes. Its compatibility with a wide range of solvents allows for its use in diverse chemical reactions, including those requiring high-purity reagents. This flexibility has made it a staple in research laboratories and industrial settings alike.

Recent advancements in green chemistry have also highlighted the importance of sodium 3-nitrobenzenesulfonate as an environmentally friendly chemical intermediate. Efforts to develop sustainable synthetic routes have focused on minimizing waste and reducing energy consumption. The compound's role in catalytic processes that promote efficient reactions aligns well with these goals, making it an attractive choice for eco-conscious chemists.

The pharmaceutical industry has seen particular interest in sodium 3-nitrobenzenesulfonate due to its potential as a precursor for drug candidates. Studies have demonstrated its utility in synthesizing molecules with anti-inflammatory, antimicrobial, and anticancer properties. The ability to modify its structure through various chemical reactions allows researchers to fine-tune the pharmacological activity of derived compounds.

In conclusion, sodium 3-nitrobenzenesulfonate (CAS No. 127-68-4) is a multifaceted compound with broad applications across multiple industries. Its unique chemical properties make it indispensable in pharmaceutical research, material science, and industrial chemistry. As research continues to uncover new uses for this compound, its significance is expected to grow further, solidifying its place as a cornerstone of modern chemical innovation.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:127-68-4)3-Nitrobenzenesulfonic Acid Sodium Salt
LE4244;LE1757701
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:127-68-4)Sodium 3-nitrobenzenesulphonate
sfd9226
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email