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28440

tert-Butyl cyanoacetate

≥97.0% (GC)

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About This Item

Linear Formula:
NCCH2COOC(CH3)3
CAS Number:
1116-98-9
Molecular Weight:
141.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57648301
EC Number:
214-243-7
Beilstein/REAXYS Number:
1755933
MDL number:
MFCD00001938
Assay:
≥97.0% (GC)
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Quality Segment

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

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

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

244.4 °F - closed cup

Flash Point (°C)

118 °C - closed cup

PPE (personal protective equipment)

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

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