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279692

Ethyl isothiocyanatoacetate

97%

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About This Item

Linear Formula:
SCNCH2CO2C2H5
CAS Number:
24066-82-8
Molecular Weight:
145.18
NACRES:
NA.22
PubChem Substance ID:
24856903
UNSPSC Code:
12352100
EC Number:
417-720-1
MDL number:
MFCD00060677
Assay:
97%
Form:
liquid
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Quality Segment

100

assay

97%

form

liquid

refractive index

n20/D 1.502 (lit.)

bp

104-106 °C/7 mmHg (lit.)

density

1.171 g/mL at 25 °C (lit.)

functional group

amine, ester, isothiocyanate

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

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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