4-Nitronaphthalene-1,8-dicarboxylic acid

Base Information

• Chemical Name: 4-Nitronaphthalene-1,8-dicarboxylic acid
• CAS No.: 5425-83-2
• Molecular Formula: C12H7 N O6
• Molecular Weight: 261.191
• Hs Code.: 2917399090
• NSC Number: 13925
• DSSTox Substance ID: DTXSID00279739
• Nikkaji Number: J28.861F
• Wikidata: Q82012527
• Mol file: 5425-83-2.mol

Synonyms:4-nitronaphthalene-1,8-dicarboxylic acid;5425-83-2;4-NITRO-1,8-NAPHTHALENEDICARBOXYLIC ACID;1,8-naphthalenedicarboxylic acid, 4-nitro-;NSC13925;SCHEMBL4442634;DTXSID00279739;NSC 13925;NSC-13925;STK098467;AKOS005396511

Chemical Property of 4-Nitronaphthalene-1,8-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.36E-14mmHg at 25°C
• Boiling Point: 586.4°C at 760 mmHg
• Flash Point: 253.6°C
• PSA: 120.42000
• Density: 1.627g/cm³
• LogP: 2.66760
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 261.02733694
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2C(=C1)C(=O)O)C(=O)O)[N+](=O)[O-]

Technology Process of 4-Nitronaphthalene-1,8-dicarboxylic acid

There total 11 articles about 4-Nitronaphthalene-1,8-dicarboxylic acid 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: 94.0%

4-nitro-2,7-dibromo-1,8-naphthalenedimethanol → 4-nitro-1,8-naphthalenedicarboxylic acid (5425-83-2)

Guidance literature:

4-nitro-2,7-dibromo-1,8-naphthalenedimethanol; With sodium nitrate; benzyl proprionate; at 50 ℃; for 0.833333h;

With erbium(III) oxide; for 2.83333h; Temperature;

Reference yield:

5-nitro-acenaphthylene-1,2-dione (24040-42-4) → 4-nitro-1,8-naphthalenedicarboxylic acid (5425-83-2)

Guidance literature:

With sodium dichromate; acetic acid; at 80 - 85 ℃;

Reference yield:

→ 4-nitro-1,8-naphthalenedicarboxylic acid (5425-83-2)

Guidance literature:

With nitric acid; Behandlung des Reaktionsprodukts mit Natronlauge;

upstream raw materials:

4-nitroacenaphthene

5-nitro-acenaphthylene-1,2-dione

4-nitro-1,8-naphthalic anhydride

nitric acid

Downstream raw materials:

4-nitronaphthalic-1,8-anhydride

4-amino-naphthalene-1,8-dicarboxylic acid