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189278

p-Toluenesulfonyl isocyanate

Name: <I>p</I>-Toluenesulfonyl isocyanate
Brand: ALDRICH

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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Properties

vapor pressure

1 mmHg ( 100 °C)

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

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

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pictograms

GHS08,GHS07

signalword

Danger

hcodes

H315,H319,H334,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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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Tetrahedron Letters, 34, 1867-1867 (1993)

Tetrahedron Letters, 34, 951-951 (1993)

Determination of 3-α-hydroxytibolone in human plasma by LC-MS/MS: application for a pharmacokinetic study after administration of a tibolone formulation.

Fabiana Fernandes de Santana e Silva Cardoso et al.

Biomedical chromatography : BMC, 27(11), 1457-1462 (2013-07-03)

A new method was developed for the quantitation of 3-α-hydroxy tibolone, in human plasma, after oral administration of a tablet formulation containing tibolone (2.5 mg). 3-α-Hydroxy tibolone was extracted by a liquid-liquid procedure, using cyproterone acetate as internal standard and chlorobutane

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Global Trade Item Number

SKU	GTIN
189278-100G	04061838759092
189278-500G	04061838759115
189278-25G	04061838759108