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527696

Sigma-Aldrich

2,4-Dinitrobenzonitrile

97%

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About This Item

Linear Formula:
(O2N)2C6H3CN
CAS Number:
4110-33-2
Molecular Weight:
194.12
MDL number:
MFCD00465665
UNSPSC Code:
12352100
PubChem Substance ID:
24874638
NACRES:
NA.22

assay

97%

mp

100-103 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(C#N)c(c1)[N+]([O-])=O

InChI

1S/C7H3N3O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H

InChI key

KCUDEOWPXBMDJE-UHFFFAOYSA-N

General description

2,4-Dinitrobenzonitrile is formed as one of the reaction products from the elimination reactions of (E)-2,4-dinitrobenzaldehyde O-aryloximes.[1] (E)-2,4-Dinitrobenzonitrile is obtained from the reaction between (E)-2,4-dinitrobenzaldehyde O-benzoyloxime with i-Pr2NH in methylcyanide.[2]

Application

2,4-Dinitrobenzonitrile may be used to synthesize N′-hydroxy-2,4-dinitrobenzimidamide.[3]

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Sol. 1

Storage Class

4.1B - Flammable solid hazardous materials

wgk_germany

WGK 3

flash_point_f

55.0 °F - closed cup

flash_point_c

12.78 °C - closed cup

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC6233V
MKBC6233
MKAA3156
05609HD
18616JB

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Synthesis and Properties of Energetic 1, 2, 4-Oxadiazoles.
Wang Z, et al.
European Journal of Organic Chemistry, 34, 7468-7474 (2015)
Elimination Reactions of (E)-2, 4-Dinitrobenzaldehyde O-Benzoyloximes.
Cho BR, et al.
The Journal of Organic Chemistry, 64(22), 8375-8378 (1999)
Elimination reactions of (E)-2, 4-dinitrobenzaldehyde O-aryloximes promoted by RO-/ROH buffers in EtOH.
Cho BR, et al.
The Journal of Organic Chemistry, 63(9), 3006-3009 (1998)

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