Dimethyl 2,6-Naphthalenedicarboxylate - ≥98%(GC) , CAS No.840-65-3

CAS: 840-65-3 Cat. No.: D137061 Molecular Weight: 244.25 Beilstein Registry Number: 9921 EC Number: 212-661-4

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-Naphthalenedicarboxylic Acid Dimethyl Ester | Dimethyl 2,6-naphthalenedicarboxylate, 98% | DTXSID6029202 | 2,6-Dicarbomethoxynaphthalene | dimethyl 2,6-naphthlene dicarboxylate | Dimethyl 2,6-napthalenedicarboxylate | Q27293554 | 2,6-Naphthalenedicarb

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 6-Naphthalenedicarboxylic Acid Dimethyl Ester | Dimethyl 2, 6-naphthalenedicarboxylate, 98% | DTXSID6029202 | 2, 6-Dicarbomethoxynaphthalene | dimethyl 2, 6-naphthlene dicarboxylate | Dimethyl 2, 6-napthalenedicarboxylate | Q27293554 | 2, 6-Naphthalenedicarb

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504753753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753753
• Canonical Smiles: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC
• IUPAC Name: dimethyl naphthalene-2,6-dicarboxylate
• InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
• INCHI: 1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
• Isomeric SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC
• WGK Germany: 3
• Molecular Weight: 244.25
• Beilstein: 9921
• Reaxy-Rn: 987259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=987259&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in hot toluene (very faint turbidity). Insoluble in water.
• Flash Point(°F): 232°C
• Flash Point(°C): 232°C
• Melt Point(°C): 187-193°C
• Molecular Weight: 244.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yang Hu, Hongdong Zhang, Xinming Pu, Liping Yang.  (2024)  Naphthyl Copolyester with High Glass Transition Temperatures: Tunable Structure and Performance.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02997]

2. Yinjun Li, Hua Ding, Ziyu Wang, Zewei Luo, Xitian Peng.  (2025)  One-Step Labeling Based on Eu-MOFs to Develop Fluorescence Side-Flow Immunoassay for AFB1 Detection in Corn.  Biosensors-Basel,  15  (5): (313).  [PMID:40422052] [10.3390/bios15050313]