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Ethoxycarbonyl isothiocyanate, 97%, Thermo Scientific Chemicals

Catalog No. AAL0091114
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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

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

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

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