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4083-64-1,MFCD00002030
Catalog No.:AA003URJ

4083-64-1 | Tosyl Isocyanate

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25g
99%
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500g
>95.0%(T)
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003URJ
Chemical Name:
Tosyl Isocyanate
CAS Number:
4083-64-1
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD00002030
SMILES:
O=C=NS(=O)(=O)c1ccc(cc1)C
Properties
Properties
 
BP:
288.8°C at 760 mmHg  
Form:
Liquid  
MP:
5°C  
Refractive Index:
n20/D 1.534(lit.)  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
303  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Literature

Title: Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

Title: Palladium-catalyzed formation of oxazolidinones from biscarbamates: a mechanistic study.

Journal: Beilstein journal of organic chemistry 20110101

Title: 4-Methyl-N-[(2-oxo-1,3-thia-zolidin-3-yl)carbon-yl]benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Selective synthesis of eight-membered cyclic ureas by the [6 + 2] cycloaddition reaction of 2-vinylazetidines and electron-deficient isocyanates.

Journal: Organic letters 20091203

Title: Simultaneous determination of diethylene glycol and propylene glycol in pharmaceutical products by HPLC after precolumn derivatization with p-toluenesulfonyl isocyanate.

Journal: Journal of separation science 20071101

Title: Isocyanate acting as a carbonyl precursor: pyridyl group-assisted formation of 4H-pyrido[1,2-a]pyrimidin-4-ones from ketimines and isocyanates.

Journal: Organic & biomolecular chemistry 20060121

Title: p-Toluenesulfonyl isocyanate as a novel derivatization reagent to enhance the electrospray ionization and its application in the determination of two stereo isomers of 3-hydroxyl-7-methyl-norethynodrel in plasma.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050125

Title: Palladium-catalyzed electrophilic substitution of allyl chlorides and acetates via bis-allylpalladium intermediates.

Journal: The Journal of organic chemistry 20030404

Title: Palladium-catalyzed tandem bis-allylation of isocyanates.

Journal: Organic letters 20010322

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