A1315112
tert-Butyl isocyanate , 97% , 1609-86-5
Synonym(s):
2-isocyanato-2-methylpropane
CAS NO.：1609-86-5
Empirical Formula: C5H9NO
Molecular Weight: 99.13
MDL number: MFCD00002035
EINECS: 216-544-9
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 85.5°C |
| Boiling point: | 85-86 °C(lit.) |
| Density | 0.868 g/mL at 25 °C(lit.) |
| vapor pressure | 79hPa at 20℃ |
| refractive index | n |
| Flash point: | 24 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Soluble), DMSO (Slightly) |
| form | Liquid |
| color | Clear colorless |
| Water Solubility | 1000g/L at 25℃ |
| Sensitive | Moisture Sensitive |
| BRN | 969479 |
| Stability: | Hygroscopic, Moisture Sensitive |
| LogP | 0.4 |
| CAS DataBase Reference | 1609-86-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Propane, 2-isocyanato-2-methyl-(1609-86-5) |
| EPA Substance Registry System | tert-Butyl isocyanate (1609-86-5) |
Description and Uses
t-Butyl Isocyanate is a useful intermediate in synthesizing SCH 503034, a potential drug in the treatment of Hepatitis C virus. The study discusses with data the drug inhibitive selectivity against the viral enzyme NS3 Protease.
Safety
| Symbol(GHS) |     GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225-H302-H314-H317-H330-H334-H335 |
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Hazard Codes | F,T+,T |
| Risk Statements | 11-14-22-26-34-37-42-36/37/38-23/24/25-10 |
| Safety Statements | 16-26-36/37/39-45-43-30-7/9 |
| RIDADR | UN 2484 6.1/PG 1 |
| WGK Germany | 3 |
| F | 10-21 |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | I |
| HS Code | 29291090 |
| Excepted Quantities | Forbidden |
