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189278 Sigma-Aldrich

p-Toluenesulfonyl isocyanate

96%

Synonym: Tosyl isocyanate

  • CAS Number 4083-64-1

  • Linear Formula CH3C6H4SO2NCO

  • Molecular Weight 197.21

  •  Beilstein/REAXYS Number 391287

  •  EC Number 223-810-8

  •  MDL number MFCD00002030

  •  PubChem Substance ID 24851374

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   200
vapor pressure   1 mmHg ( 100 °C)
assay   96%
refractive index   n20/D 1.534 (lit.)
bp   144 °C/10 mmHg (lit.)
  275-278 °C (lit.)
density   1.291 g/mL at 25 °C (lit.)
SMILES string   Cc1ccc(cc1)S(=O)(=O)N=C=O
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

Description

General description

p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.

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

Packaging

25, 100, 500 g in Sure/Seal™

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Supplemental Hazard Statements 
EUH014
RIDADR 
UN 2206PSN1B 6.1 / PGIII
WGK Germany 
WGK 1
RTECS 
DB9032000
Flash Point(F) 
293.0 °F - closed cup
Flash Point(C) 
145 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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