3-(2-Nitrophenyl)-3-oxopropanenitrile

Modify Date: 2025-08-25 17:46:14

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure
3-(2-Nitrophenyl)-3-oxopropanenitrile structure
 Common Name 3-(2-Nitrophenyl)-3-oxopropanenitrile
CAS Number 40017-83-2 Molecular Weight 190.156
Density 1.3±0.1 g/cm3 Boiling Point 399.2±22.0 °C at 760 mmHg
Molecular Formula C9H6N2O3 Melting Point N/A
MSDS N/A Flash Point 195.2±22.3 °C

 Names

Name 3-(2-nitrophenyl)-3-oxopropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 399.2±22.0 °C at 760 mmHg
Molecular Formula C9H6N2O3
Molecular Weight 190.156
Flash Point 195.2±22.3 °C
Exact Mass 190.037842
PSA 86.68000
LogP 0.58
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.578
InChIKey WHJVFNZAENXWGO-UHFFFAOYSA-N
SMILES N#CCC(=O)c1ccccc1[N+](=O)[O-]

 Synthetic Route

METHYL 2-NITROBENZOATE structure

METHYL 2-NITROB...

CAS#:606-27-9

Acetonitrile structure

Acetonitrile

CAS#:75-05-8

~43%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Knipe, Peter C.; Smith, Martin D. Organic and Biomolecular Chemistry, 2014 , vol. 12, # 28 p. 5094 - 5097
(Z)-2-Cyano-3-hydroxy-3-(2-nitrophenyl)acrylsaeureethylester structure

(Z)-2-Cyano-3-h...

CAS#:141342-35-0

~67%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Sicker, D.; Wilde, H. Journal fuer Praktische Chemie/Chemiker-Zeitung, 1992 , vol. 334, # 1 p. 76 - 80
Ethanone, 2-chloro-1-(2-nitrophenyl)- (9CI) structure

Ethanone, 2-chl...

CAS#:113337-37-4

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

~%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Arndt et al. Chemische Berichte, 1953 , vol. 86, p. 957,963
2-Nitrobenzoyl chloride structure

2-Nitrobenzoyl ...

CAS#:610-14-0

~%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Tupper, David E.; Bray, Mark R. Synthesis, 1997 , # 3 p. 337 - 341
ethyl 2-cyano-3-(2-nitrophenyl)-3-oxopropanoate structure

ethyl 2-cyano-3...

CAS#:91974-26-4

~%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Stepanow; Wul'fson Sbornik Statei org. Poluprod. Krasit.Chem.Abstr., 1959 , # 1 p. 222,229 Sbornik Statei org. Poluprod. Krasit.Chem.Abstr., 1961 , p. 18747
POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

2-Bromo-2'-nitroacetophenone structure

2-Bromo-2'-nitr...

CAS#:6851-99-6

~%

3-(2-Nitrophenyl)-3-oxopropanenitrile Structure

3-(2-Nitropheny...

CAS#:40017-83-2

Literature: Butenandt; Renner Zeitschrift fuer Naturforschung, 1953 , vol. 8b, p. 454,461

 Synonyms

3-(2-NITROPHENYL)-3-OXOPROPIONITRILE
3-(2-Nitrophenyl)-3-oxopropanenitrile
3-(2-Nitro-phenyl)-3-oxo-propionitril
o-nitrophenacylcyanide
BEN363
3-(2-Nitrophenyl)-3-oxopropionsaeurenitril
Benzenepropanenitrile, 2-nitro-β-oxo-
o-Nitrophenacylcyanid
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