Ethoxycarbonyl isothiocyanate, 97%

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.

Specifications

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

• 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: 25 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

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

SDS

RUO – Research Use Only