tert-Butyl isothiocyanate
- Product Nametert-Butyl isothiocyanate
- CAS590-42-1
- MFC5H9NS
- MW115.2
- EINECS209-682-6
- MOL File590-42-1.mol
Chemical Properties
| Melting point | 10.5-11.5 °C (lit.) |
| Boiling point | 30-32 °C/10 mmHg (lit.) |
| Density | 0.908 g/mL at 25 °C (lit.) |
| refractive index | n 20/D 1.48 (lit.) |
| Flash point | 38 °C - closed cup |
| storage temp. | Flammables area |
| form | liquid |
| color | Colorless |
| Specific Gravity | 0.915 (20/4℃) |
| Water Solubility | Reacts with water. |
| Sensitive | Moisture Sensitive |
| BRN | 1361854 |
| InChI | InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3 |
| InChIKey | ZFWFRTVIIMTOLY-UHFFFAOYSA-N |
| SMILES | CC(N=C=S)(C)C |
| CAS DataBase Reference | 590-42-1(CAS DataBase Reference) |
| EPA Substance Registry System | Propane, 2-isothiocyanato-2-methyl- (590-42-1) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 34-23/24/25-10-36/37 |
| Safety Statements | 45-38-36/37/39-28A-26-16-27 |
| RIDADR | 2929 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 2930909099 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Irrit. 2 Flam. Liq. 3 STOT SE 3 |
