2-Nitrobenzene-1,3-dicarbonitrile

Base Information

• Chemical Name: 2-Nitrobenzene-1,3-dicarbonitrile
• CAS No.: 51762-72-2
• Molecular Formula: C8H3N3O2
• Molecular Weight: 173.131
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30557274
• Wikidata: Q72494913
• Mol file: 51762-72-2.mol

Synonyms:2-nitroisophthalonitrile;51762-72-2;2-nitrobenzene-1,3-dicarbonitrile;SCHEMBL3237039;DTXSID30557274;AKOS006228448;A828762

Chemical Property of 2-Nitrobenzene-1,3-dicarbonitrile

Chemical Property:

• Melting Point: 152 °C
• Boiling Point: 365.4 °C at 760 mmHg
• Flash Point: 174.8 °C
• PSA: 93.40000
• Density: 1.41 g/cm³
• LogP: 1.86136
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 173.022526347
• Heavy Atom Count: 13
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

2-Nitrobenzene-1,3-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitrobenzene-1,3-dicarbonitrile

There total 1 articles about 2-Nitrobenzene-1,3-dicarbonitrile 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: 26.5%

2-nitrobenzene-1,3-dicarboxamide (32114-73-1) → Benzene-1-nitro-2,6-dicyano (51762-72-2)

Guidance literature:

With phosphorus pentaoxide; at 160 ℃; for 1.5h;

Reference yield: 60.0%

2-aminobenzene-1,3-dicarbonitrile (63069-52-3) + Benzene-1-nitro-2,6-dicyano (51762-72-2) → C16H7N5 + C16H8N6

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; for 48h;

Reference yield: 60.0%

Benzene-1-nitro-2,6-dicyano (51762-72-2) → 2-chloro-1,3-dicyanobenzene (28442-78-6)

Guidance literature:

With lithium chloride; In dimethyl sulfoxide; at 110 ℃; for 2.5h;

upstream raw materials:

2-nitrobenzene-1,3-dicarboxamide

Downstream raw materials:

bis(2,6-dicyanophenyl) ether

2,6-dicyanophenol

benzene-1,2,3-tricarbonitrile

3-cyanophthalimide

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