p-Toluenesulfonyl isocyanate
ALDRICH/189278 - 96%
Synonym: Tosyl isocyanate
CAS Number: 4083-64-1
Empirical Formula (Hill Notation): C8H7NO3S
Molecular Weight: 197.21
EC Number: 223-810-8
MDL Number: MFCD00002030
Linear Formula: CH3C6H4SO2NCO
Product Type: Chemical
| assay | 96% |
| bp | 144 °C/10 mmHg (lit.) |
| 275-278 °C (lit.) | |
| density | 1.291 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C8H7NO3S/c1-7-2-4-8(5- |
| InChI key | VLJQDHDVZJXNQL-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | Cc1ccc(cc1)S(=O)(=O)N=C=O |
| vapor pressure | 1 mmHg ( 100 °C) |
| 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 |
| General description: | p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides. |
| Packaging: | 25, 100, 500 g in Sure/Seal™ |
| Symbol |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H315 - H319 - H334 - H335 |
| Precautionary statements | P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 14-36/37/38-42 |
| Safety Statements | 26-28-30 |
| RIDADR | UN 2206PSN1B 6.1 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 294.8 °F - closed cup |
| Flash Point(C) | 146 °C - closed cup |
| Purity | 96% |
| bp | 144 °C/10 mmHg (lit.); 275-278 °C (lit.) |
| Density | 1.291 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |