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HomeProduct name listEthoxycarbonyl Isothiocyanate

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: 2024-04-26 17:21:34
Ethoxycarbonyl Isothiocyanate Structural

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  n20/D 1.500(lit.)
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)
ghs
Flame
Flammables
GHS02
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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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