1,6-Naphthalenedicarboxylic acid

Base Information

• Chemical Name: 1,6-Naphthalenedicarboxylic acid
• CAS No.: 2089-87-4
• Molecular Formula: C12H8O4
• Molecular Weight: 216.193
• Hs Code.: 2917399090
• European Community (EC) Number: 218-234-9
• NSC Number: 87585
• DSSTox Substance ID: DTXSID10175036
• Nikkaji Number: J298.687F
• Wikidata: Q83045262
• ChEMBL ID: CHEMBL420818
• Mol file: 2089-87-4.mol

Synonyms:1,6-Naphthalenedicarboxylic acid;Naphthalene-1,6-dicarboxylic acid;2089-87-4;CHEMBL420818;SCHEMBL70015;Naphthalin-2.6-dicarbonsaure;DTXSID10175036;NSC87585;EINECS 218-234-9;BDBM50103232;NSC 87585;NSC-87585

Chemical Property of 1,6-Naphthalenedicarboxylic acid

Chemical Property:

• Vapor Pressure: 9.18E-10mmHg at 25°C
• Boiling Point: 473.3°C at 760 mmHg
• Flash Point: 254.2°C
• PSA: 74.60000
• Density: 1.454g/cm³
• LogP: 2.23620
• XLogP3: 2.6
• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)C(=O)O

Technology Process of 1,6-Naphthalenedicarboxylic acid

There total 7 articles about 1,6-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:

1,6-dimethylnaphthalene (575-43-9) → naphthalene-1,6-dicarboxylic acid (2089-87-4)

Guidance literature:

With potassium hexacyanoferrate(III);

Reference yield:

→ naphthalene-1,6-dicarboxylic acid (2089-87-4)

Guidance literature:

With potassium hydroxide;

Reference yield:

4,7-dimethyl-naphthalene-1-sulfonic acid (134973-39-0) → naphthalene-1,6-dicarboxylic acid (2089-87-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 130 - 140 °C

With sulfuric acid;

upstream raw materials:

1,6-dimethylnaphthalene

nitric acid

1,6-diisopropylnaphthalene

4,7-dimethyl-naphthalene-1-sulfonic acid

Downstream raw materials:

Naphthalin-1,6-dicarbonsaeure-dimethylester

Refernces

• 1、 Fujishiro, Koichi,Mitamura, Shuichi. "The Zinc(II)-Catalyzed Henkel Reaction of Dipotassium 1,8-Naphthalenedicarboxylate in a Dispersion Medium". . p. 786 - 790. Retrieved 2007/10/02.