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Ethoxycarbonyl isothiocyanate, 97%

Catalog No. aal0091106
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AAL0091106 5 g
AAL0091114 25 g
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Catalog No. AAL0091106 Supplier Thermo Scientific Chemicals Supplier No. L0091106
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Description

CAS: 16182-04-0 | C4H5NO2S | 131.149 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Soluble in chloroform and ether.

Notes
Moisture, Heat Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from oxidizing agents. Stable under recommended storage conditions.

Chemical Identifiers

CAS 16182-04-0
Molecular Formula C4H5NO2S
Molecular Weight (g/mol) 131.149
MDL Number MFCD00004814
InChI Key BDTDECDAHYOJRO-UHFFFAOYSA-N
Synonym ethoxycarbonyl isothiocyanate, ethyl isothiocyanatoformate, carbethoxy isothiocyanate, ethoxycarbonylisothiocyanate, ethyl n-carbothioylcarbamate, ethyl n-sulfanylidenemethylidene carbamate, ethyl isothiocyanatidocarbonate, carbon isothiocyanatidic acid, ethyl ester, o-ethyl carbonisothiocyanatidate
PubChem CID 85320
IUPAC Name ethyl N-(sulfanylidenemethylidene)carbamate
SMILES CCOC(=O)N=C=S

Specifications

Density 1.11
Boiling Point 44°C to 46°C (10 mmHg)
Flash Point 50°C (122°F)
Odor Pungent
Refractive Index 1.503
Quantity 5 g
UN Number UN2924
Beilstein 606091
Sensitivity Moisture sensitive
Solubility Information Soluble in chloroform and ether.
Formula Weight 131.15
Percent Purity 97%
Chemical Name or Material Ethoxycarbonyl isothiocyanate
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Safety and Handling

Hazard Category H226-H301+H311+H331-H318-H335
Hazard Statement GHS H Statement
H301-H311-H314-H318-H226-H332
Toxic if swallowed.
Toxic in contact with skin.
Causes severe skin burns and eye damage.
Causes serious eye damage.
Flammable liquid and vapor.
Harmful if inhaled.
Precautionary Statement P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P310-P311-P312-P330-P363-P370+P378q-P501c
DOTInformation Hazard Class: 6.1; Packaging Group: II
EINECSNumber 240-318-9
TSCA No
Recommended Storage Keep cold; Store under Nitrogen

RUO – Research Use Only