4-nitrobenzonitrile oxide

Modify Date: 2025-09-11 22:14:48

4-nitrobenzonitrile oxide Structure
4-nitrobenzonitrile oxide structure
 Common Name 4-nitrobenzonitrile oxide
CAS Number 2574-03-0 Molecular Weight 164.11800
Density 1.32g/cm3 Boiling Point N/A
Molecular Formula C7H4N2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-nitrobenzonitrile oxide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Molecular Formula C7H4N2O3
Molecular Weight 164.11800
Exact Mass 164.02200
PSA 68.88000
LogP 0.51440
Index of Refraction 1.589
InChIKey OFALIKGBMGHLIH-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(C#[N+][O-])cc1

 Synthetic Route

4-Nitrobenzaldehyde structure

4-Nitrobenzaldehyde

CAS#:555-16-8

~%

4-nitrobenzonitrile oxide Structure

4-nitrobenzonit...

CAS#:2574-03-0

Literature: ONO PHARMACEUTICAL CO., LTD.; COURTNEY, Steve; YARNOLD, Chris; FLANAGAN, Stuart; BRACE, Gareth; BARKER, John; ICHIHARA, Osamu; GADOULEAU, Elise; RICHARDSON, Anthony; KONDO, Takashi; IMAGAWA, Akira; NAKATANI, Shingo; SUZUKI, Ryo; KOUYAMA, Sho Patent: WO2013/93484 A1, 2013 ; Location in patent: Page/Page column 261 ;
4-HYDROXYBUTYROPHENONE structure

4-HYDROXYBUTYRO...

CAS#:1011-84-3

~91%

4-nitrobenzonitrile oxide Structure

4-nitrobenzonit...

CAS#:2574-03-0

Literature: Hanhela, Peter J.; Paul, D. Brenton Australian Journal of Chemistry, 1989 , vol. 42, # 8 p. 1257 - 1272
4-Nitrobenzaldoxime structure

4-Nitrobenzaldoxime

CAS#:1129-37-9

~%

4-nitrobenzonitrile oxide Structure

4-nitrobenzonit...

CAS#:2574-03-0

Literature: Hansen, Trond V.; Wu, Peng; Fokin, Valery V. Journal of Organic Chemistry, 2005 , vol. 70, # 19 p. 7761 - 7764
4-Nitrobenzoyl chloride structure

4-Nitrobenzoyl ...

CAS#:122-04-3

~%

4-nitrobenzonitrile oxide Structure

4-nitrobenzonit...

CAS#:2574-03-0

Literature: Zayed, Salem E. Phosphorus, Sulfur and Silicon and Related Elements, 1996 , vol. 108, # 1-4 p. 7 - 13
Benzamide,N-hydroxy-4-nitro- structure

Benzamide,N-hyd...

CAS#:1613-76-9

~%

4-nitrobenzonitrile oxide Structure

4-nitrobenzonit...

CAS#:2574-03-0

Literature: Zayed, Salem E. Phosphorus, Sulfur and Silicon and Related Elements, 1996 , vol. 108, # 1-4 p. 7 - 13

 Synonyms

4-nitro-benzonitrile N-oxide
1-(4-nitrophenyl)-N-oxidomethanimine
[(4-nitrophenyl)methylidyne]azane oxide
Benzonitrile,4-nitro-N-oxide
p-nitrobenzonitrile oxide
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