tert-Butyl isothiocyanate
ALDRICH/251852 - 99%
CAS Number: 590-42-1
Empirical Formula (Hill Notation): C5H9NS
Molecular Weight: 115.20
EC Number: 209-682-6
MDL Number: MFCD00004816
Linear Formula: (CH3)3CNCS
Product Type: Chemical
| assay | 99% |
| bp | 30-32 °C/10 mmHg (lit.) |
| density | 0.908 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| isothiocyanate | |
| InChI | 1S/C5H9NS/c1-5(2,3)6-4-7/ |
| InChI key | ZFWFRTVIIMTOLY-UHFFFAOYSA |
| mp | 10.5-11.5 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)N=C=S |
| Application: | tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks. |
| General description: | Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H301 + H311 + H331 - H319 - H335 |
| Precautionary statements | P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | T |
| Risk Statements | 10-23/24/25-36/37 |
| Safety Statements | 26-27-36/37/39-45 |
| RIDADR | UN 2929 3(6.1) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 100.4 °F - closed cup |
| Flash Point(C) | 38 °C - closed cup |
| Purity | 99% |
| bp | 30-32 °C/10 mmHg (lit.) |
| mp | 10.5-11.5 °C (lit.) |
| Density | 0.908 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |