6-Methoxy-2-naphthol - ≥97%(HPLC) , CAS No.5111-66-0

CAS: 5111-66-0 Cat. No.: M134987 Formula: C₁₁H₁₀O₂ Molecular Weight: 174.2 Beilstein Registry Number: 2043873 EC Number: 629-038-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

2-Hydroxy-6-methoxynaphthalene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

6-Methoxy-2-naphthol is a reactant in the development of sirtuin inhibitors
A bicyclic compound also known as 2-Hydroxy-6-methoxynaphthalene

Specifications

Synonyms

2-Hydroxy-6-methoxynaphthalene

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

Pubchem Sid

504758326

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758326

Canonical Smiles

COC1=CC2=C(C=C1)C=C(C=C2)O

IUPAC Name

6-methoxynaphthalen-2-ol

InChIKey

WWPKRXOOVICNJY-UHFFFAOYSA-N

INCHI

1S/C11H10O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)O

WGK Germany

3

Molecular Weight

174.2

Beilstein

2043873

Reaxy-Rn

2043873

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - 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 naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

• Sensitivity: air sensitive ,light sensitive
• x_melt_point_char: 148-152°C
• Molecular Weight: 174.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 5111-66-0, the molecular formula is C11H10O2, and the molecular weight is 174.2 g/mol. InChIKey WWPKRXOOVICNJY-UHFFFAOYSA-N.

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

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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.