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Merck
CN

301337

Ethyl 3,5-dinitrobenzoate

99%

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About This Item

Linear Formula:
(O2N)2C6H3CO2C2H5
CAS Number:
618-71-3
Molecular Weight:
240.17
NACRES:
NA.22
PubChem Substance ID:
24858180
UNSPSC Code:
12352100
EC Number:
210-559-4
MDL number:
MFCD00007232
Assay:
99%
Form:
solid

Key Documents

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InChI key

IBQREHJPMPCXQA-UHFFFAOYSA-N

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

SMILES string

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

assay

99%

form

solid

mp

94-95 °C (lit.)

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
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB0447
04619TM

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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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