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About This Item
Linear Formula:
CH3C6H4SO2NCO
CAS Number:
Molecular Weight:
197.21
Beilstein:
391287
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
vapor pressure
1 mmHg ( 100 °C)
Quality Level
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
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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
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
294.8 °F - closed cup
Flash Point(C)
146 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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