JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
p-Toluenesulfonyl isocyanate - ≥92%, high purity , CAS No.4083-64-1

Skip to the end of the images gallery

Skip to the beginning of the images gallery

p-Toluenesulfonyl isocyanate - ≥92%, high purity , CAS No.4083-64-1

1 Citations

COA

Grade & Purity:

≥92%

Cas Number: 4083-64-1
Molecular Weight: 197.21
Beilstein Registry Number: 391287
EC Number: 223-810-8
MDL number: MFCD00002030
PubChem CID: 77703

In stock

Item Number

T670393

Grouped product items
SKU	Size	Availability	Price	Qty
T670393-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
T670393-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

View related series

Isocyanates (16) Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	PTSI \| 4-Methylbenzene-1-sulfonyl isocyanate \| Tosyl isocyanate
Specifications & Purity	≥92%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds Sulfonyl isocyanates Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Sulfonyl isocyanate - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-methyl-N-(oxomethylidene)benzenesulfonamide
INCHI	InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChIKey	VLJQDHDVZJXNQL-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N=C=O
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N=C=O
WGK Germany	1
RTECS	DB9032000
PubChem CID	77703
UN Number	2206
Molecular Weight	197.21
Beilstein	391287
Reaxy-Rn	391287

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H2408563	Certificate of Analysis	Aug 22, 2024	T670393
H2408565	Certificate of Analysis	Aug 22, 2024	T670393
H2408564	Certificate of Analysis	Aug 21, 2024	T670393

Chemical and Physical Properties

Solubility	Reacts with water.
Sensitivity	Moisture sensitive
Refractive Index	1.534
Flash Point(°F)	293 °F
Flash Point(°C)	110℃
Boil Point(°C)	144°C
Melt Point(°C)	5°C
Molecular Weight	197.210 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	197.015 Da
Monoisotopic Mass	197.015 Da
Topological Polar Surface Area	72.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	303.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.