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: 2025-04-02 16:58:49

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 |
Ethoxycarbonyl Isothiocyanate manufacturer
New Products
2-Propanamine, 1-chloro-, hydrochloride (9CI) 3-Pyridineacetonitrile, α-hydroxy- 3-Iodophenylacetic acid 3-(hexyloxy)-4-(pyridin-3-yl)-1,2,5-thiadiazole 2-Hexyn-1-ol Dibenzo-18-crown-6 Strontium Carbonate, 98% Wang resin Sodium hydrogenphosphate, anhydrous 2-Bromo-3-methoxyaniline hydrochloride, 95% (Custom work) 1-Bromo-4-chlorobenzene, 99% Benzocaine, 98% (R)-2-Methylpyrolidine-2-carboxylic acid (De Mepro) Ramipril Sacubitril- Valsartan Boc-his(trt)-OH Fmoc-L-Glu-OtBu Boc-L-Tyr(tBu)-OH Semi carbazide Hydrochloride 1-Ethyl-3-(3-Dimethylaminopropyl)-Carbodiimide Hydrochloride [EDC Hcl] 5-(Difluoromethoxy)-2-Mercaptobenzimidazole 2-Chloromethyl-4-methyl-quinazoline Trans-4-Aminocyclohexanol [4tac] 2-[1-(Mercaptomethyl)Cyclopropyl]Acetic AcidRelated products of tetrahydrofuran








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