Ethoxycarbonyl Isothiocyanate
Synonym(s):Ethyl isothiocyanatoformate
- CAS NO.:16182-04-0
- Empirical Formula: C4H5NO2S
- Molecular Weight: 131.15
- MDL number: MFCD00004814
- EINECS: 240-318-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:13:40
What is Ethoxycarbonyl Isothiocyanate?
Chemical properties
Light Yellow Oil
The Uses of Ethoxycarbonyl Isothiocyanate
Versatile reagent for organic synthesis.
Ethoxycarbonyl isothiocyanate is used as a building block in the synthesis of various heterocycles. It is also used for the synthesis of 1,2,4-oxadiazolidine-3,5-dione. It is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
The Uses of Ethoxycarbonyl Isothiocyanate
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-thiones from 2-amino-2-oxazolines
- N-acylthioureas from aminodeoxy sugars
What are the applications of Application
Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
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-thiones from 2-amino-2-oxazolines
N-acylthioureas from aminodeoxy sugars
Synthesis Reference(s)
Using Schiff base as a phase transfer catalyst, ethoxycarbonyl isothiocyanate was synthesized by reacting ethyl chloroformate with sodium thiocyanate. www.semanticscholar.org
General Description
Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
Hazard
Lachrymator.
Properties of Ethoxycarbonyl Isothiocyanate
| Boiling point: | 56 °C18 mm Hg(lit.) |
| Density | 1.112 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 123 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in chloroform and ether. |
| form | Oil |
| Specific Gravity | 1.112 |
| color | Light Yellow |
| Sensitive | Moisture Sensitive/Lachrymatory |
| BRN | 606091 |
| CAS DataBase Reference | 16182-04-0(CAS DataBase Reference) |
Safety information for Ethoxycarbonyl Isothiocyanate
| Signal word | Danger |
| Pictogram(s) |
![]() Flame Flammables GHS02 ![]() Skull and Crossbones Acute Toxicity GHS06 ![]() Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Ethoxycarbonyl Isothiocyanate
| InChIKey | BDTDECDAHYOJRO-UHFFFAOYSA-N |
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