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276111

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

276111-25G:
276111-100G:
276111-BULK:
276111-VAR:

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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