Ethyl isothiocyanatoacetate

ALDRICH/279692 - 97%

CAS Number: 24066-82-8
Empirical Formula (Hill Notation): C₅H₇NO₂S
Molecular Weight: 145.18
EC Number: 417-720-1
MDL Number: MFCD00060677
Linear Formula: SCNCH₂CO₂C₂H₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-279692-5G	5 g	$100.00 1/EA		Add To Favorites

ATR-IR Spectra for Ethyl isothiocyanatoacetate.

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	104-106 °C/7 mmHg (lit.)
density	1.171 g/mL at 25 °C (lit.)
form	liquid
functional group	amine
	ester
	isothiocyanate
InChI	1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChI key	IYPSSPPKMLXXRN-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.502 (lit.)
SMILES string	CCOC(=O)CN=C=S
storage temp.	2-8°C

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

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312 + H332 - H315 - H319 - H335
Precautionary statements	P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	26-36/37/39
RIDADR	UN 2810 6.1 / PGII
WGK Germany	WGK 3
Flash Point(F)	228.2 °F - closed cup
Flash Point(C)	109 °C - closed cup

Purity	97%
bp	104-106 °C/7 mmHg (lit.)
Density	1.171 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.502 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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