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Merck

41368

Supelco

p-Toluolsulfonylisocyanat

for HPLC derivatization, LiChropur, ≥98.0% (GC)

Synonym(e):

Tosylisocyanat

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About This Item

Lineare Formel:
CH3C6H4SO2NCO
CAS-Nummer:
Molekulargewicht:
197.21
Beilstein:
391287
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
41116105
PubChem Substanz-ID:
NACRES:
NA.22

Qualität

for HPLC derivatization
LiChropur

Qualitätsniveau

Dampfdruck

1 mmHg ( 100 °C)

Assay

≥98.0% (GC)

Form

liquid

Methode(n)

HPLC: suitable

Brechungsindex

n20/D 1.533-1.537
n20/D 1.534 (lit.)

bp

144 °C/10 mmHg (lit.)
275-278 °C (lit.)

Dichte

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

InChIKey

VLJQDHDVZJXNQL-UHFFFAOYSA-N

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Allgemeine Beschreibung

p-Toluenesulfonyl isocyanate, a sulfonyl isocyanate derivative, is a highly reactive compound that finds application as a water scavenger. It is used as a component of polyurethane coatings, sealants, adhesives and as an intermediate of several industrially important chemicals.

Anwendung

p-Toluenesulfonyl isocyanate may be used as a derivatization reagent for the analyses of diethylene glycol and propylene glycol in pharmaceutical products, stereoisomers of 3-hydroxyl-7-methyl-norethynodrel in biological samples, and pyrrolizidine alkaloids in herbal tea formulations by high performance liquid chromatography (HPLC) based techniques.

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Rechtliche Hinweise

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Piktogramme

Health hazardExclamation mark

Signalwort

Danger

Gefahreneinstufungen

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

Zielorgane

Respiratory system

Lagerklassenschlüssel

10 - Combustible liquids

WGK

WGK 1

Flammpunkt (°F)

294.8 °F - closed cup

Flammpunkt (°C)

146 °C - closed cup


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K Parimala et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 81(1), 711-723 (2011-07-29)
The Fourier transform infrared (FTIR) and FT Raman spectra of p-toluenesulfonyl isocyanate (p-tosyl isocyanate) have been measured. The molecular geometry, vibrational frequencies, infrared intensities, Raman activities and atomic charges have been calculated by using ab initio HF and density functional
Inga Mädge et al.
Food chemistry, 187, 491-498 (2015-05-16)
A general contamination of tea with pyrrolizidine alkaloids (PA) has just become known. Here, we report the application and modification of a new HPLC-ESI-MS/MS sum parameter method to quantitate PA content of herbal teas intended for infants, pregnant and lactating
Ming Zuo et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 814(2), 331-337 (2005-01-11)
In this paper, p-toluenesulfonyl isocyanate has been reported as a novel derivatization reagent with strong nuclephilic reactivity for the hydroxyl compounds. The derivatization for the two pharmacologically active 3-hydroxyl metabolites, 3alpha-hydroxyl-7-methyl-norethynodrel and 3beta-hydroxyl-7-methyl-norethynodrel by p-toluenesulfonyl isocyanate can be accomplished in
Tao Zhou et al.
Journal of separation science, 30(16), 2620-2627 (2007-09-21)
A simple and reliable HPLC method was developed for the simultaneous quantitative analysis of diethylene glycol (DEG) and propylene glycol (PG) in pharmaceutical products by precolumn derivatization. The derivatization reagent p-toluenesulfonyl isocyanate (TSIC, 10 microL, 20% in ACN v/v) was

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