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p-Toluenesulfonyl isocyanate

ALDRICH/189278 - 96%

Synonym: Tosyl isocyanate

CAS Number: 4083-64-1
Empirical Formula (Hill Notation): C8H7NO3S
Molecular Weight: 197.21
EC Number: 223-810-8
MDL Number: MFCD00002030
Linear Formula: CH3C6H4SO2NCO
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-189278-25G 25 g
 $44.40
1/EA		 Add To Favorites
45-189278-100G 100 g
 $46.70
1/EA		 Add To Favorites
45-189278-500G 500 g
 $137.00
1/EA		 Add To Favorites

 

assay 96%
bp 144 °C/10 mmHg (lit.)
  275-278 °C (lit.)
density 1.291 g/mL at 25 °C (lit.)
form liquid
InChI 1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChI key VLJQDHDVZJXNQL-UHFFFAOYSA-N
Quality Level 200 
refractive index n20/D 1.534 (lit.)
SMILES string Cc1ccc(cc1)S(=O)(=O)N=C=O
vapor pressure 1 mmHg ( 100 °C)
Application: p-Toluenesulfonyl isocyanate has been used as :
• derivatization reagent in determination of 3-α-hydroxy tibolone in human plasma by LC-MS/MS
• derivatization reagent in simultaneous quantitative analysis of diethylene glycol and propylene glycol in pharmaceutical products by HPLC
• as reagent in the preparation of acetylated syn-1,2-diols, oxazolidin-2-ones, 2,3-diamino acids and N-tosylcarbonamides
General description: p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.
Packaging: 25, 100, 500 g in Sure/Seal™
Purity 96%
bp 144 °C/10 mmHg (lit.); 275-278 °C (lit.)
Density 1.291 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.534 (lit.)
UNSPSC 12352100

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