2,3-Dicyano-1,4-naphthoquinone

Base Information

• Chemical Name: 2,3-Dicyano-1,4-naphthoquinone
• CAS No.: 1018-78-6
• Molecular Formula: C12H4 N2 O2
• Molecular Weight: 208.176
• Hs Code.: 2926909090
• NSC Number: 146588
• UNII: SVI4RD590R
• DSSTox Substance ID: DTXSID00144190
• Nikkaji Number: J510.014C
• Wikidata: Q83008298
• Mol file: 1018-78-6.mol

Synonyms:2-dimethylamino-3-chloro-1,4-naphthoquinone;DCNQ

Chemical Property of 2,3-Dicyano-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Melting Point: 278-279 °C (decomp)
• Boiling Point: 334.9 °C at 760 mmHg
• Flash Point: 156.4 °C
• PSA: 81.72000
• Density: 1.44 g/cm³
• LogP: 1.40936
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.027277375
• Heavy Atom Count: 16
• Complexity: 452

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-DICYANO-1,4-NAPHTHOQUINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)C#N)C#N

Technology Process of 2,3-Dicyano-1,4-naphthoquinone

There total 6 articles about 2,3-Dicyano-1,4-naphthoquinone 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: 65.0%

C12H4N2O2(1-)*Li(1+) (4296-82-6) → 2,3-dicyano-1,4-naphthoquinone (1018-78-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo00254a034

Reference yield: 35.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + sodium cyanide (773837-37-9) → 2,3-dicyano-1,4-naphthoquinone (1018-78-6)

Guidance literature:

2,3-Dichloro-1,4-naphthoquinone; sodium cyanide; In ethanol; water; at 20 ℃; for 3h;

With acetic acid; at 100 ℃;

DOI:10.3390/molecules25092064

Reference yield:

1,4-dihydroxy-2,3-naphthalenedicarbonitrile (1018-79-7) → 2,3-dicyano-1,4-naphthoquinone (1018-78-6)

Guidance literature:

With nitric acid; In acetic acid;

DOI:10.1016/0584-8539(88)80114-4

upstream raw materials:

1,4-dihydroxy-2,3-naphthalenedicarbonitrile

1,4-Dioxo-1,4-dihydro-naphthalene-2,3-dicarbonitrile; compound with 4a,8a,9,10-tetraaza-anthracene

C₁₂H₄N₂O₂^(1-)*Li⁽¹⁺⁾

2,3-Dichloro-1,4-naphthoquinone

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