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About This Item
Linear Formula:
NCCH2COOC(CH3)3
CAS Number:
Molecular Weight:
141.17
Beilstein:
1755933
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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.)
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
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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
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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