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189278

p-Toluenesulfonyl isocyanate

96%

Synonym(s):

Tosyl isocyanate

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About This Item

Linear Formula:
CH3C6H4SO2NCO
CAS Number:
4083-64-1
Molecular Weight:
197.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851374
EC Number:
223-810-8
Beilstein/REAXYS Number:
391287
MDL number:
MFCD00002030
Assay:
96%
Form:
liquid
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vapor pressure

1 mmHg ( 100 °C)

Quality Segment

200

assay

96%

form

liquid

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

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

294.8 °F - closed cup

flash_point_c

146 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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