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2,6-Dinitrotoluene-3-sulfonic acid is an organic chemical compound derived from toluene, characterized by a molecular formula of C7H6N2O7S. It is a yellow crystalline solid with a strong sulfonic acid functional group, exhibiting mild acidic properties and high solubility in water. 2,6-DINITROTOLUENE-3-SULFONIC ACID is commonly utilized in the production of dyes, pigments, and other industrial chemicals, and also serves as an intermediate in the synthesis of pharmaceuticals and organic compounds. Due to its toxic nature, it requires careful handling to prevent harm to human health and the environment.

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  • 226711-10-0 Structure
  • Basic information

    1. Product Name: 2,6-DINITROTOLUENE-3-SULFONIC ACID
    2. Synonyms: 2,6-DINITROTOLUENE-3-SULFONIC ACID
    3. CAS NO:226711-10-0
    4. Molecular Formula: C7H6N2O7S
    5. Molecular Weight: 262.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 226711-10-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.723 g/cm3
    6. Refractive Index: 1.624
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -2.15±0.50(Predicted)
    10. CAS DataBase Reference: 2,6-DINITROTOLUENE-3-SULFONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,6-DINITROTOLUENE-3-SULFONIC ACID(226711-10-0)
    12. EPA Substance Registry System: 2,6-DINITROTOLUENE-3-SULFONIC ACID(226711-10-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 226711-10-0(Hazardous Substances Data)

226711-10-0 Usage

Uses

Used in Dye and Pigment Production:
2,6-Dinitrotoluene-3-sulfonic acid is used as a key intermediate in the synthesis of various dyes and pigments, contributing to the coloration and stability of these products in different applications.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 2,6-dinitrotoluene-3-sulfonic acid is utilized as a reagent in the synthesis of various organic compounds, playing a crucial role in the development of new drugs and medicinal agents.
Used in Industrial Chemical Production:
2,6-Dinitrotoluene-3-sulfonic acid is employed as a reagent in the production of a range of industrial chemicals, where its strong sulfonic acid functional group aids in various chemical reactions and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 226711-10-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,6,7,1 and 1 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 226711-10:
(8*2)+(7*2)+(6*6)+(5*7)+(4*1)+(3*1)+(2*1)+(1*0)=110
110 % 10 = 0
So 226711-10-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H6N2O7S/c1-4-5(8(10)11)2-3-6(17(14,15)16)7(4)9(12)13/h2-3H,1H3,(H,14,15,16)

226711-10-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methyl-2,4-dinitrobenzenesulfonic acid

1.2 Other means of identification

Product number -
Other names Benzenesulfonic acid,3-methyl-2,4-dinitro

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:226711-10-0 SDS

226711-10-0Upstream product

226711-10-0Downstream Products

226711-10-0Relevant articles and documents

Synthesis of reference substances for highly polar metabolites of nitroaromatic compounds

Schmidt, Torsten C.,Steinbach, Klaus,Buetehorn, Ulf,Heck, Kerstin,Volkwein, Ute,Stork, Gottfried

, p. 3119 - 3130 (1999)

Transformation processes of nitroaromatic compounds (NAC) lead to polar and highly hydrophilic metabolites. For the unequivocal identification of proposed metabolites reference substances are needed. Since most of them are not commercially available, their synthesis was done in our group. In many cases no satisfying synthesis schemes were found in the literature. In this communication, we therefore describe the preparation, structural elucidation and separation of 17 compounds. Many of the newly synthesized analytes were found in various water samples from a former ammunition plant.

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