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301337

Sigma-Aldrich

Ethyl 3,5-dinitrobenzoate

99%

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Linear Formula:
(O2N)2C6H3CO2C2H5
CAS Number:
Molecular Weight:
240.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

form

solid

mp

94-95 °C (lit.)

SMILES string

CCOC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3

InChI key

IBQREHJPMPCXQA-UHFFFAOYSA-N

General description

Ethyl 3,5-dinitrobenzoate forms charge transfer spectra with n-alkane solutions containing hexakis(n-hexyloxy)triphenylene. Nuclear magnetic resonance spectra of ethyl 3,5-dinitrobenzoate was studied.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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The mechanism of action of ethanolamine deaminase. I. Studies with isotopic hydrogen and oxygen.
B M Babior
The Journal of biological chemistry, 244(2), 449-456 (1969-01-25)
Aggregates of hexakis (n-hexyloxy) triphenylene self-assemble in dodecane solution: intercalation of (-)-menthol 3, 5-dinitrobenzoate induces formation of helical structures.
Gallivan JP and Schuster GB.
The Journal of Organic Chemistry, 60(8), 2423-2429 (1995)

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