1,2-Naphthalenedicarboxylic acid

Base Information

• Chemical Name: 1,2-Naphthalenedicarboxylic acid
• CAS No.: 2088-87-1
• Molecular Formula: C12H8O4
• Molecular Weight: 216.193
• Hs Code.: 2917399090
• European Community (EC) Number: 218-233-3
• NSC Number: 20714
• UNII: LLE6Y9HED5
• DSSTox Substance ID: DTXSID00174992
• Nikkaji Number: J298.686H
• Wikidata: Q83045196
• Mol file: 2088-87-1.mol

Synonyms:1,2-naphthalenedicarboxylic acid;1,2-naphthalic acid

Chemical Property of 1,2-Naphthalenedicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.41E-08mmHg at 25°C
• Melting Point: 177 °C
• Boiling Point: 441.6°Cat760mmHg
• PKA: 3.11±0.10(Predicted)
• Flash Point: 235°C
• PSA: 74.60000
• Density: 1.454g/cm³
• LogP: 2.23620
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.04225873
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Naphthalenedicarboxylic acid

There total 18 articles about 1,2-Naphthalenedicarboxylic 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: 96.5%

→ naphthalene-1,2-dicarboxylic acid (2088-87-1)

Guidance literature:

Reference yield:

tetrachloromethane (56-23-5) + 2-naphthoic peroxyanhydride (38512-20-8) → 2-chloronaphthalene (91-58-7) + naphthalene-1,2-dicarboxylic acid (2088-87-1) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) + naphthalene-2-carboxylate (93-09-4)

Guidance literature:

anschliessendes Erhitzen mit Wasser;

DOI:10.1021/jo01181a005

Reference yield:

phenanthrene (85-01-8) → 2-Phenylbenzaldehyde (1203-68-5) + naphthalene-1,2-dicarboxylic acid (2088-87-1) + 2-(2-formyl-phenyl)-benzoic acid (6720-26-9) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With air; silica gel; for 65h; Further byproducts given; Photolysis;

DOI:10.1021/es950769p

upstream raw materials:

tetrachloromethane

2-naphthoic peroxyanhydride

benzothiophene-1,1-dioxide

dimethyl acetylenedicarboxylate

Downstream raw materials:

dimethyl 1,2-naphthalenedicarboxylate

2-phenyl-1H-benzo[e]isoindole-1,3(2H)-dione