Methyl 1-Naphthoate - ≥98% , CAS No.2459-24-7

CAS: 2459-24-7 Cat. No.: M168980 Fórmula: C₁₂H₁₀O₂ Peso molecular: 186.212 Número EC: 695-423-6

GRADE & PURITY ≥98%

Synonyms

InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 | Q63408692 | 1-Naphthoic acid, methyl ester | CAA45924 | naphthalene-1-carboxylic acid methyl ester | N0615 | D91749 | Methyl 1-naphthoate | AKOS008905557 | EN300-341832 | NSC23049 | NSC-2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 | Q63408692 | 1-Naphthoic acid, methyl ester | CAA45924 | naphthalene-1-carboxylic acid methyl ester | N0615 | D91749 | Methyl 1-naphthoate | AKOS008905557 | EN300-341832 | NSC23049 | NSC-2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756825
• Sonrisas canónicas: COC(=O)C1=CC=CC2=CC=CC=C21
• IUPAC Name: methyl naphthalene-1-carboxylate
• InChIKey: HMRROBKAACRWBP-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
• Isómeros SMILES: COC(=O)C1=CC=CC2=CC=CC=C21
• Peso molecular: 186.212
• Reaxy-Rn: 1868204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868204&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids and derivatives
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 169°C/20mmHg
• Peso molecular: 186.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• 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

Referencias

1. Yuemei Li, Shi-Yu Guo, Hongfei Gu, Bingyu Wang, Peiwu Su, Xiuming Zhang, Haoqing Zhang, Shuping Zhang, Fanzhi Yang, Jia Liu, Qing-An Chen, Jiatao Zhang.  (2025)  Natural Sunlight-Driven Activation of Inert Aryl Halides Using Plasmonic Cu@CdS with Polysulfide Active Sites.  ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,  64  (27): (e202425601).  [PMID:40285501] [10.1002/anie.202425601]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2459-24-7, the molecular formula is C12H10O2, and the molecular weight is 186.212 g/mol. InChIKey HMRROBKAACRWBP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.