41368
p-Toluenesulfonyl isocyanate
derivatization grade (HPLC), LiChropur™, ≥98.0% (GC)
Synonym(s):
p-Tosyl isocyanate, TsNCO, Tosyl isocyanate
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
Linear Formula:
CH3C6H4SO2NCO
CAS Number:
Molecular Weight:
197.21
UNSPSC Code:
41116105
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-810-8
Beilstein/REAXYS Number:
391287
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
grade
derivatization grade (HPLC)
Quality Level
vapor pressure
1 mmHg ( 100 °C)
assay
≥98.0% (GC)
form
liquid
quality
LiChropur™
technique(s)
HPLC: suitable
refractive index
n20/D 1.533-1.537, 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, 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.
Application
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.
Legal Information
LiChropur is a trademark of Merck KGaA, Darmstadt, Germany
Still not finding the right product?
Explore all of our products under p-Toluenesulfonyl isocyanate
signalword
Danger
hcodes
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
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 41368-10X1ML | 04061838195845 |
| 41368-1ML | 04061838202932 |
| 41368-10ML | 04061838195838 |
| 41368-1ML-KC | 04061838002624 |