Propanedinitrile,2-[(2-nitrophenyl)methylene]-

Modify Date: 2025-08-27 11:27:55

Propanedinitrile,2-[(2-nitrophenyl)methylene]- Structure
Propanedinitrile,2-[(2-nitrophenyl)methylene]- structure
 Common Name Propanedinitrile,2-[(2-nitrophenyl)methylene]-
CAS Number 2826-30-4 Molecular Weight 199.16600
Density 1.37g/cm3 Boiling Point 390.5ºC at 760 mmHg
Molecular Formula C10H5N3O2 Melting Point N/A
MSDS N/A Flash Point 190ºC

 Names

Name 2-[(2-nitrophenyl)methylidene]propanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 390.5ºC at 760 mmHg
Molecular Formula C10H5N3O2
Molecular Weight 199.16600
Flash Point 190ºC
Exact Mass 199.03800
PSA 93.40000
LogP 2.54856
Vapour Pressure 2.64E-06mmHg at 25°C
Index of Refraction 1.649
InChIKey QGESGQINLPXOJL-UHFFFAOYSA-N
SMILES N#CC(C#N)=Cc1ccccc1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4378000
CHEMICAL NAME :
Malononitrile, (o-nitrobenzylidene)-
CAS REGISTRY NUMBER :
2826-30-4
BEILSTEIN REFERENCE NO. :
1960548
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H5-N3-O2
MOLECULAR WEIGHT :
199.18
WISWESSER LINE NOTATION :
WNR B1UYCN&CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07676

 Synthetic Route

2-Nitrobenzaldehyde structure

2-Nitrobenzaldehyde

CAS#:552-89-6

Malononitrile structure

Malononitrile

CAS#:109-77-3

~96%

Propanedinitrile,2-[(2-nitrophenyl)methylene]- Structure

Propanedinitril...

CAS#:2826-30-4

Literature: Heravi, Majid M.; Bakhtiari, Khadijeh; Taheri, Shima; Oskooie, Hossein A. Journal of the Chinese Chemical Society, 2007 , vol. 54, # 6 p. 1557 - 1560
1-(4-((2-nitrobenzylidene)amino)phenyl)ethan-1-one structure

1-(4-((2-nitrob...

CAS#:92437-70-2

Malononitrile structure

Malononitrile

CAS#:109-77-3

~59%

Propanedinitrile,2-[(2-nitrophenyl)methylene]- Structure

Propanedinitril...

CAS#:2826-30-4

Literature: Sidhu, Anjali; Sharma; Rai, Mangat Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010 , vol. 49, # 2 p. 247 - 250

 Synonyms

2-Nitrobenzalmalononitrile
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Chemsrc provides CAS#:2826-30-4 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanedinitrile,2-[(2-nitrophenyl)methylene]->> amp version: Propanedinitrile,2-[(2-nitrophenyl)methylene]-

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