2-(4-Nitrobenzylidene)malononitrile

Base Information

• Chemical Name: 2-(4-Nitrobenzylidene)malononitrile
• CAS No.: 2700-23-4
• Molecular Formula: C10H5 N3 O2
• Molecular Weight: 199.169
• Hs Code.: 2926909090
• European Community (EC) Number: 635-099-5
• NSC Number: 637341,98447
• UNII: V37C8V9Z5X
• DSSTox Substance ID: DTXSID70181491
• Nikkaji Number: J305.966I
• ChEMBL ID: CHEMBL1986426
• Mol file: 2700-23-4.mol

Synonyms:4-nitrobenzylidene malononitrile;AG 1714;AG-1714

Chemical Property of 2-(4-Nitrobenzylidene)malononitrile

Chemical Property:

• Vapor Pressure: 3.13E-05mmHg at 25°C
• Melting Point: 149-151°
• Boiling Point: 355.4°Cat760mmHg
• Flash Point: 168.8°C
• PSA: 93.40000
• Density: 1.37g/cm³
• LogP: 2.54856
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.038176411
• Heavy Atom Count: 15
• Complexity: 351

Purity/Quality:

95% ^*data from raw suppliers

2-[(4-nitrophenyl)methylene]malononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-]

Technology Process of 2-(4-Nitrobenzylidene)malononitrile

There total 25 articles about 2-(4-Nitrobenzylidene)malononitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-nitrobenzaldehdye (555-16-8) + malononitrile (109-77-3) → 4-Nitrobenzylidenemalononitrile (2700-23-4)

Guidance literature:

at 150 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00554-4

Reference yield: 92.0%

4-nitrobenzaldehyde dimethyl acetal (881-67-4) + malononitrile (109-77-3) → 4-Nitrobenzylidenemalononitrile (2700-23-4)

Guidance literature:

With water; In toluene; at 90 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c8nj01934g

Reference yield: 90.0%

C14H12N2O3 (1062320-37-9) + malononitrile (109-77-3) → 4-Nitrobenzylidenemalononitrile (2700-23-4) + N-(3-methylphenyl)hydroxylamine (620-25-7)

Guidance literature:

With sodium dodecyl-sulfate; In water; at 25 - 30 ℃; for 0.166667h;

upstream raw materials:

4-nitrobenzaldehdye

malononitrile

p-nitrobenzylideneaniline

2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione

Downstream raw materials:

4-nitrobenzylmalononitrile

Brom-<4-nitro-phenyl>-malononitril

Jod-<4-nitrobenzyl>-malodinitril

2-amino-5,7-dihydro-4-(4-nitrophenyl)-5-oxo-4H-furo[3,4-b]pyran-3-carbonitrile