1,4-Naphthalenedicarboxylic acid

Base Information

• Chemical Name: 1,4-Naphthalenedicarboxylic acid
• CAS No.: 605-70-9
• Molecular Formula: C12H8O4
• Molecular Weight: 216.193
• Hs Code.: 29173990
• European Community (EC) Number: 210-094-7
• UNII: 84HFA3F9GP
• DSSTox Substance ID: DTXSID2060545
• Nikkaji Number: J94.932I
• Wikidata: Q72493452
• Mol file: 605-70-9.mol

Synonyms:1,4-Naphthalenedicarboxylic acid;605-70-9;Naphthalene-1,4-dicarboxylic acid;1,4-Naphthalicacid;84HFA3F9GP;EINECS 210-094-7;MFCD00014312;UNII-84HFA3F9GP;SCHEMBL28798;YSWG244;DTXSID2060545;Naphthalene-1,4-dicarboxlic acid;naphthaline-1,4-dicarboxylic acid;AKOS015856051;CS-W014856;1,4-Naphthalenedicarboxylic acid, 94%;AC-11690;AS-10797;SY050283;A8445;FT-0606917;N0606;EN300-201196;F11258;W-105246

Chemical Property of 1,4-Naphthalenedicarboxylic acid

Chemical Property:

• Appearance/Colour: Light yellow power
• Vapor Pressure: 2.01E-10mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.708
• Boiling Point: 490.2 °C at 760 mmHg
• PKA: 2.71±0.10(Predicted)
• Flash Point: 264.3 °C
• PSA: 74.60000
• Density: 1.454 g/cm³
• LogP: 2.23620
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• 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: 269

Purity/Quality:

99.9% ^*data from raw suppliers

1,4-Naphthalenedicarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1,4-Naphthalenedicarboxylic acid

There total 26 articles about 1,4-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: 91.0%

C14H14O5 → naphthalene-1,4-dicarboxylic acid (605-70-9)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 2.2h;

DOI:10.1039/c8gc00308d

Reference yield: 78.0%

naphthalene-1,4-dicarbonitrile (3029-30-9) → naphthalene-1,4-dicarboxylic acid (605-70-9)

Guidance literature:

With sulfuric acid; In water; acetic acid; at 135 ℃; for 2h;

Reference yield: 0.5%

C14H14O5 → naphthalene-1,4-dicarboxylic acid (605-70-9) + dimethyl 1,4-naphthalenedicarboxylate (7487-15-2) + C20H14O4

Guidance literature:

With amberlyst; In 1,2-dichloro-ethane; for 1.5h;

DOI:10.1039/c8gc00308d

upstream raw materials:

naphthalene-1,4-dicarbonitrile

4-Methyl-1-naphthoic acid

1,4-dihydro-naphthalene-1,4-dicarboxylic acid

4-methyl-1-(nitromethyl)naphthalene

Downstream raw materials:

4-((2,5-Dioxo-4,4-diphenylimidazolidinyl)carbonyl)naphthalenecarboxylic acid

1,4-di(benzoxazol-2-yl)naphthalene

naphthalene-1,4-dicarboxaldehyde

Refernces

• 1、 Froeschl,Harlass. "". . p. 275,282. Retrieved 1932.
• 2、 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.
• 3、 -. "1,1-Alkanediol dicarboxylate linked antibacterial agents". . . Retrieved 2008/06/13.