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279692 Sigma-Aldrich

Ethyl isothiocyanatoacetate

97%

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Properties

Related Categories Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates More...
Quality Level   100
assay   97%
refractive index   n20/D 1.502 (lit.)
bp   104-106 °C/7 mmHg (lit.)
density   1.171 g/mL at 25 °C (lit.)
storage temp.   2-8°C
SMILES string   CCOC(=O)CN=C=S
InChI   1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChI key   IYPSSPPKMLXXRN-UHFFFAOYSA-N

Description

Application

Ethyl isothiocyanatoacetate has been used in the synthesis of:
• fused pyrimidines
• ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates via addition-cyclization reaction with carboxylic acid hydrazides in the presence of sodium ethoxide
• 3-O-amino-2-thiohydantoins
• quinazoline, benzothienopyrimidine and benzofuropyrimidine
• thiazolo[5,4-d]thiazole

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Target organs 
Respiratory system
RIDADR 
UN 2810 6.1 / PGII
WGK Germany 
WGK 3
RTECS 
AI5020000
Flash Point(F) 
228.2 °F - closed cup
Flash Point(C) 
109 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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