tert-Butyl cyanoacetate

ALDRICH/28440 - ≥97.0% (GC)

CAS Number: 1116-98-9
Empirical Formula (Hill Notation): C₇H₁₁NO₂
Molecular Weight: 141.17
EC Number: 214-243-7
MDL Number: MFCD00001938
Linear Formula: NCCH₂COOC(CH₃)₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-28440-10ML-F	10 mL	$72.70 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥97.0% (GC)
bp	40-42 °C/0.1 mmHg (lit.)
density	0.988 g/mL at 20 °C (lit.)
functional group	ester
	nitrile
InChI	1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChI key	BFNYNEMRWHFIMR-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.420
SMILES string	CC(C)(C)OC(=O)CC#N
storage temp.	2-8°C

Application:	tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.
General description:	tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.
Packaging:	10 mL in glass bottle

Hazard Codes	Xn
Risk Statements	22
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	244.4 °F - closed cup
Flash Point(C)	118 °C - closed cup

Purity	≥97.0% (GC)
bp	40-42 °C/0.1 mmHg (lit.)
Density	0.988 g/mL at 20 °C (lit.)
Refractive Index	n20/D 1.420
Storage Temp.	2-8°C
UNSPSC	12352100

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