Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

28440

Sigma-Aldrich

tert-Butyl cyanoacetate

≥97.0% (GC)

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
NCCH2COOC(CH3)3
CAS Number:
1116-98-9
Molecular Weight:
141.17
Beilstein:
1755933
EC Number:
214-243-7
MDL number:
MFCD00001938
UNSPSC Code:
12352100
PubChem Substance ID:
57648301
NACRES:
NA.22

Quality Level

100

Assay

≥97.0% (GC)

refractive index

n20/D 1.420

bp

40-42 °C/0.1 mmHg (lit.)

density

0.988 g/mL at 20 °C (lit.)

functional group

ester
nitrile

storage temp.

2-8°C

SMILES string

CC(C)(C)OC(=O)CC#N

InChI

1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3

InChI key

BFNYNEMRWHFIMR-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.

Application

tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

244.4 °F - closed cup

Flash Point(C)

118 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCD8842
1344389V
1344389
1334472
1145757

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service