2,7-Dimethoxynaphthalene - ≥98%(HPLC) , CAS No.3469-26-9

CAS: 3469-26-9 Cat. No.: D135470 Formula: C₁₂H₁₂O₂ Molecular Weight: 188.23 Beilstein Registry Number: 6(4)6570 EC Number: 222-433-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

AC-24469 | J-650378 | SY030724 | NSC28991 | NSC-28991 | DS-6378 | AKOS000121467 | 2,7-DIMETHOXY NAPHTHALENE | Z54603315 | EN300-16203 | D1917 | FT-0610751 | AB00338 | MFCD00004064 | W-106714 | SCHEMBL443528 | s11908 | InChI=1/C12H12O2/c1-13-11-5-3-9-4-6-1

Storage

Room temperature

Shipped In

Normal

Overview

2,7-Dimethoxynaphthalene was employed as matrix to investigate the structure of polymetallic porphyrins via matrix-assisted laser desorption/ionization. It was also used in the synthesis of: peri-aroylnaphthalene compounds via elective electrophilic aromatic aroylation 2-amino-1,2,3,4-tetrahydronaphthalene-6,7-diol

Specifications

Synonyms

AC-24469 | J-650378 | SY030724 | NSC28991 | NSC-28991 | DS-6378 | AKOS000121467 | 2,7-DIMETHOXY NAPHTHALENE | Z54603315 | EN300-16203 | D1917 | FT-0610751 | AB00338 | MFCD00004064 | W-106714 | SCHEMBL443528 | s11908 | InChI=1/C12H12O2/c1-13-11-5-3-9-4-6-1

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

488185362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185362

Canonical Smiles

COC1=CC2=C(C=C1)C=CC(=C2)OC

IUPAC Name

2,7-dimethoxynaphthalene

InChIKey

PPKHAIRFQKFMLE-UHFFFAOYSA-N

INCHI

1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)OC

WGK Germany

3

Molecular Weight

188.23

Beilstein

6(4)6570

Reaxy-Rn

2044686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Melt Point(°C): 137-140°C
• Molecular Weight: 188.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.084 Da
• Monoisotopic Mass: 188.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 163.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 3469-26-9, the molecular formula is C12H12O2, and the molecular weight is 188.23 g/mol. InChIKey PPKHAIRFQKFMLE-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.