189278

p-Toluenesulfonyl isocyanate

96%

• Synonym(s): Tosyl isocyanate
• Linear Formula: CH₃C₆H₄SO₂NCO
• CAS Number: 4083-64-1
• Molecular Weight: 197.21
• Beilstein: 391287
• EC Number: 223-810-8
• MDL number: MFCD00002030
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851374
• NACRES: NA.22

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

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H315,H319,H334,H335
• Precautionary Statements: 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 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