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Sigma-Aldrich

Diethyl nitromalonate

97%

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About This Item

Linear Formula:
O2NCH(CO2C2H5)2
CAS Number:
603-67-8
Molecular Weight:
205.17
EC Number:
210-052-8
MDL number:
MFCD00009142
UNSPSC Code:
12352100
PubChem Substance ID:
24856491
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.428 (lit.)

bp

78-80 °C/0.2 mmHg (lit.)

density

1.174 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(C(=O)OCC)[N+]([O-])=O

InChI

1S/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3

InChI key

DAKKWKYIQGMKOS-UHFFFAOYSA-N

General description

Thermal decomposition of diethyl nitromalonate to furoxan has been studied.

Application

Diethyl nitromalonate has been used in the preparation of 5,5-diethoxycarbonyl-1-pyrroline N-oxide (DECPO).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Synthesis and structure of 5, 5-diethoxycarbonyl-1-pyrroline< i> N</i>-oxide (DECPO). Application to superoxide radical trapping.
Karoui H, et al.
Tetrahedron Letters, 45(1), 149-152 (2004)
A New Synthetic Method of Alkyl Carbonocyanidate iV-Oxides.
SHiMizu T, et al.
Bulletin of the Chemical Society of Japan, 58, 2519-2522 (1985)

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