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5-Nitrotoluene-2-sulphonyl chloride is a sulfonyl chloride derivative of 5-nitrotoluene, a chemical compound with a molecular formula of C7H6ClNO4S. It is often used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and dyes. As a powerful acylating agent, it is commonly used in organic synthesis for the introduction of the nitro functional group. However, it is also considered a potential mutagen and irritant, necessitating proper precautions during handling and use.

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  • 21320-90-1 Structure
  • Basic information

    1. Product Name: 5-nitrotoluene-2-sulphonyl chloride
    2. Synonyms: 5-nitrotoluene-2-sulphonyl chloride
    3. CAS NO:21320-90-1
    4. Molecular Formula: C7H6ClNO4S
    5. Molecular Weight: 235.64484
    6. EINECS: 244-332-6
    7. Product Categories: N/A
    8. Mol File: 21320-90-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 370.3°Cat760mmHg
    3. Flash Point: 177.8°C
    4. Appearance: /
    5. Density: 1.528g/cm3
    6. Vapor Pressure: 2.38E-05mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 5-nitrotoluene-2-sulphonyl chloride(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-nitrotoluene-2-sulphonyl chloride(21320-90-1)
    12. EPA Substance Registry System: 5-nitrotoluene-2-sulphonyl chloride(21320-90-1)
  • 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: 21320-90-1(Hazardous Substances Data)

21320-90-1 Usage

Uses

Used in Pharmaceutical Industry:
5-Nitrotoluene-2-sulphonyl chloride is used as a building block for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Nitrotoluene-2-sulphonyl chloride is used as a key intermediate in the production of various agrochemicals, such as pesticides and herbicides, to enhance crop protection and yield.
Used in Dye Industry:
5-Nitrotoluene-2-sulphonyl chloride is utilized as a starting material in the synthesis of different dyes, providing a wide range of color options for various applications, including textiles, plastics, and printing inks.
Used in Organic Synthesis:
As a powerful acylating agent, 5-Nitrotoluene-2-sulphonyl chloride is used in organic synthesis for the introduction of the nitro functional group, enabling the creation of a diverse array of chemical compounds with specific properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 21320-90-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,3,2 and 0 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 21320-90:
(7*2)+(6*1)+(5*3)+(4*2)+(3*0)+(2*9)+(1*0)=61
61 % 10 = 1
So 21320-90-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H6ClNO4S/c1-5-4-6(9(10)11)2-3-7(5)14(8,12)13/h2-4H,1H3

21320-90-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-4-nitrobenzenesulfonyl chloride

1.2 Other means of identification

Product number -
Other names 5-Nitro-toluol-2-sulfonylchlorid

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:21320-90-1 SDS

21320-90-1Relevant articles and documents

OXIDIZED GLUTATHIONE ASSAY

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Paragraph 0103, (2016/03/14)

The present invention provides an assay for detection of oxidized glutathione (GSSG).

Metal Free Bi(hetero)aryl Synthesis: A Benzyne Truce-Smiles Rearrangement

Holden, Catherine M.,Sohel, Shariar M. A.,Greaney, Michael F.

, p. 2450 - 2453 (2016/02/18)

A new benzyne transformation is described that affords versatile biaryl structures without recourse to transition-metal catalysis or stoichiometric amounts of organometallic building blocks. Aryl sulfonamides add to benzyne upon fluoride activation, and then undergo an aryl Truce-Smiles rearrangement to afford biaryls with sulfur dioxide extrusion. The reaction proceeds under simple reaction conditions and has excellent scope for the synthesis of sterically hindered atropisomeric biaryl amines. All smiles: Metal-free biaryl synthesis is achieved by adding benzyne to arylsulfonamides. A Smiles rearrangement enables C-C bond formation, thus accessing a variety of functionalized biaryls under mild reaction conditions.

Structure-based design and synthesis of novel pseudosaccharine derivatives as antiproliferative agents and kinase inhibitors

Elsayed, Mohamed S.A.,El-Araby, Moustafa E.,Serya, Rabah A.T.,El-Khatib, Ahmed H.,Linscheid, Michael W.,Abouzid, Khaled A.M.

, p. 122 - 131 (2013/04/23)

This study is concerned with the implementation of structure-based techniques for the design of new heterocyclic compounds based on pseudosaccharine scaffold with protein kinase inhibition activity. This nucleus was exploited based on the well-known quinazoline core and its interactions with several protein kinases. Two series of compounds employing this new scaffold were synthesized and evaluated at enzymatic and cellular levels. Compound 9b displayed broad spectrum antiproliferative activity on NCI 60-cell lines panel with mean GI50 of 5.4 μM. Investigation of the molecular mechanism showed probable inhibitory activity against Src kinase.

Electrophilic aromatic substituted luciferins as bioluminescent probes for glutathione S-transferase assays

Zhou, Wenhui,Shultz, John W.,Murphy, Nancy,Hawkins, Erika M.,Bernad, Laurent,Good, Troy,Moothart, Leonard,Frackman, Susan,Klaubert, Dieter H.,Bulleit, Robert F.,Wood, Keith V.

, p. 4620 - 4622 (2007/10/03)

New highly sensitive latent bioluminescent luciferin substrates were designed and synthesized for monitoring mammalian glutathione S-transferase (GST) and Schistosoma japonicum enzyme activities. The Royal Society of Chemistry 2006.

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