Ethoxycarbonyl isothiocyanate
ALDRICH/196126 - 98%
Synonym: Ethyl isothiocyanatoformate
CAS Number: 16182-04-0
Empirical Formula (Hill Notation): C4H5NO2S
Molecular Weight: 131.15
EC Number: 240-318-9
MDL Number: MFCD00004814
Linear Formula: SCNCOOCH2CH3
Product Type: Chemical
| assay | 98% |
| bp | 56 °C/18 mmHg (lit.) |
| density | 1.112 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| isothiocyanate | |
| InChI | 1S/C4H5NO2S/c1-2-7-4(6)5- |
| InChI key | BDTDECDAHYOJRO-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCOC(=O)N=C=S |
| storage temp. | 2-8°C |
| Application: | Ethoxycarbonyl isothiocyanate has been used in the synthesis of: • pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2 • fused thiophene derivatives, having antibacterial and antifungal activities • 4-thiouracil derivatives • thiocarbamides from stannylarenes • 1,3,5-triazin-2-one-4-t • N-acylthioureas from aminodeoxy sugars |
| General description: | Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H226 - H315 - H317 - H319 - H331 - H334 - H335 |
| Precautionary statements | P210 - P280 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | T |
| Risk Statements | 23-36/37/38-42 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 2929 3(6.1) / PGII |
| WGK Germany | WGK 3 |
| Purity | 98% |
| bp | 56 °C/18 mmHg (lit.) |
| Density | 1.112 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |