196126

Ethoxycarbonyl isothiocyanate

98%

• Synonym(s): Ethyl isothiocyanatoformate
• Linear Formula: SCNCOOCH₂CH₃
• CAS Number: 16182-04-0
• Molecular Weight: 131.15
• Beilstein: 606091
• EC Number: 240-318-9
• MDL number: MFCD00004814
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851737
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.500 (lit.)
• bp: 56 °C/18 mmHg (lit.)
• density: 1.112 g/mL at 25 °C (lit.)
• functional group: amine; isothiocyanate
• storage temp.: 2-8°C
• SMILES string: CCOC(=O)N=C=S
• InChI: 1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
• InChI key: BDTDECDAHYOJRO-UHFFFAOYSA-N

Description

General description

Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.

Application

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

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H226,H315,H317,H319,H331,H334,H335
• Precautionary Statements: P210 - P233 - P280 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 122.0 °F - closed cup
• Flash Point(C): 50 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves