Ethoxycarbonyl Isothiocyanate
- Product Name
- Ethoxycarbonyl Isothiocyanate
- CAS No.
- 16182-04-0
- Chemical Name
- Ethoxycarbonyl Isothiocyanate
- Synonyms
- O-ethyl carbonisothiocyanatidate;ethyl N-carbothioylcarbamate;ETHYL ISOTHIOCYANATOFORMATE;Ethyl carbonisothiocyanatidate;NSC 158480;CARBETHOXYISOTHIOCYANATE;Ethoxycarbonyl Mustard Oil;ETHOXYCARBONYL ISOTHIOCYANATE;ETHYL ISOTHIOCYANATOFORMATE,98%;Ethyl isothiocyanatidocarbonate
- CBNumber
- CB1265381
- Molecular Formula
- C4H5NO2S
- Formula Weight
- 131.15
- MOL File
- 16182-04-0.mol
Ethoxycarbonyl Isothiocyanate Property
- 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
- InChI
- InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
- InChIKey
- BDTDECDAHYOJRO-UHFFFAOYSA-N
- SMILES
- C(N=C=S)(=O)OCC
- CAS DataBase Reference
- 16182-04-0(CAS DataBase Reference)
Safety
- Hazard Codes
- T,Xi
- Risk Statements
- 23-36/37/38-42
- Safety Statements
- 23-26-36/37/39-45
- RIDADR
- UN 2929 6.1/PG 2
- WGK Germany
- 3
- F
- 9-13-19-21
- HazardClass
- 3
- PackingGroup
- III
- HS Code
- 29309090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H331Toxic if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 196126
- Product name
- Ethoxycarbonyl isothiocyanate
- Purity
- 98%
- Packaging
- 5g
- Price
- $87.78
- Updated
- 2025/07/31
- Product number
- 196126
- Product name
- Ethoxycarbonyl isothiocyanate
- Purity
- 98%
- Packaging
- 25g
- Price
- $187.6
- Updated
- 2025/07/31
- Product number
- E0440
- Product name
- Ethoxycarbonyl Isothiocyanate
- Purity
- >95.0%(GC)
- Packaging
- 5g
- Price
- $26
- Updated
- 2025/07/31
- Product number
- E0440
- Product name
- Ethoxycarbonyl Isothiocyanate
- Purity
- >95.0%(GC)
- Packaging
- 25g
- Price
- $88
- Updated
- 2025/07/31
- Product number
- C176650
- Product name
- Carbon(isothiocyanatidic)acidEthylEster
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
Ethoxycarbonyl Isothiocyanate Chemical Properties,Usage,Production
Chemical Properties
Light Yellow Oil
Uses
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.
Uses
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
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.
Synthesis
540-72-7
541-41-3
16182-04-0
Example 1: Preparation of ethoxycarbonyl isothiocyanate To a 1 liter jacketed reactor was added sodium thiocyanate (39.1 g, 0.48 mol) and 310 g of toluene. After heating the mixture to 30°C, pyridine (0.4 g, 0.005 mol) and water (0.9 g, 0.05 mol) were added sequentially. Subsequently, ethyl chloroformate (52.9 g, 0.49 mol) was added slowly and dropwise to the reaction system over 40 minutes. The reaction solution was maintained under stirring for 3 hours, during which time the progress of the reaction was monitored by gas chromatography (GC) to confirm that the ethyl chloroformate was almost completely consumed. Upon completion of the reaction, the reaction solution was filtered and analyzed by gas chromatography combined with quantitative internal standard method and the yield of ethoxycarbonyl isothiocyanate was measured to be 99%.
References
[1] Patent: US2014/100381, 2014, A1. Location in patent: Page/Page column
[2] Journal of Organic Chemistry, 1990, vol. 55, # 18, p. 5230 - 5231
[3] Research on Chemical Intermediates, 2012, vol. 38, # 3-5, p. 903 - 909
[4] Patent: US2014/100381, 2014, A1. Location in patent: Page/Page column
[5] Journal of Organic Chemistry, 1990, vol. 55, # 18, p. 5230 - 5231
Ethoxycarbonyl Isothiocyanate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethoxycarbonyl Isothiocyanate manufacturers
- Product
- Ethoxycarbonyl Isothiocyanate 16182-04-0
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 5tons
- Release date
- 2024-12-03
- Product
- ETHOXYCARBONYL ISOTHIOCYANATE 16182-04-0
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- Ethoxycarbonyl Isothiocyanate 16182-04-0
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10