527696
2,4-Dinitrobenzonitrile
97%
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About This Item
Linear Formula:
(O2N)2C6H3CN
CAS Number:
Molecular Weight:
194.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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. (E)-2,4-Dinitrobenzonitrile is obtained from the reaction between (E)-2,4-dinitrobenzaldehyde O-benzoyloxime with i-Pr2NH in methylcyanide.
Application
2,4-Dinitrobenzonitrile may be used to synthesize N′-hydroxy-2,4-dinitrobenzimidamide.
signalword
Danger
hcodes
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
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
Regulatory Information
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Related Content
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-aryloximes promoted by RO-/ROH buffers in EtOH.
Cho BR, et al.
The Journal of Organic Chemistry, 63(9), 3006-3009 (1998)
Elimination Reactions of (E)-2, 4-Dinitrobenzaldehyde O-Benzoyloximes.
Cho BR, et al.
The Journal of Organic Chemistry, 64(22), 8375-8378 (1999)