2-Naphthaldehyde - ≥98% , CAS No.66-99-9

CAS: 66-99-9 Cat. No.: N106388 Formula: C₁₁H₈O Molecular Weight: 156.18 Beilstein Registry Number: 507750 EC Number: 200-640-2

GRADE & PURITY ≥98%

Synonyms

2-naphthalaldehyde | naphthalene-2-carboxaldehyde | bmse000679 | BRN 0507750 | Naphtalene-2-carbaldehyde | ss--Naphthaldehyde | beta-naphthoaldehyde | GZX30H50DE | N0003 | 2-Naphthaldehyde | 2-naphtoaldehyde | 2-Naphathalenecarboxaldehyde | BCP26680 | A15

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

2-Naphthaldehyde can be used as a reactant:

· In proline catalyzed aldol reaction.

· In asymmetric three-component Mannich reaction.

· For the synthesis of Hantzsch 1,4-dihydropyridines.13}

· Asymmetric benzoin condensation reaction.

· For the synthesis of pyrazolo[1,2?b]phthalazinediones.

· For the synthesis C60 by flash vacuum pyrolysis

Specifications

Synonyms

2-naphthalaldehyde | naphthalene-2-carboxaldehyde | bmse000679 | BRN 0507750 | Naphtalene-2-carbaldehyde | ss--Naphthaldehyde | beta-naphthoaldehyde | GZX30H50DE | N0003 | 2-Naphthaldehyde | 2-naphtoaldehyde | 2-Naphathalenecarboxaldehyde | BCP26680 | A15

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751022

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751022

Canonical Smiles

C1=CC=C2C=C(C=CC2=C1)C=O

IUPAC Name

naphthalene-2-carbaldehyde

InChIKey

PJKVFARRVXDXAD-UHFFFAOYSA-N

INCHI

1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C=O

WGK Germany

3

RTECS

QJ0190010

UN Number

1988

Molecular Weight

156.18

Beilstein

507750

Reaxy-Rn

507750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507750&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: Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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: naphthaldehyde

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

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meloidogyne incognita (862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot water.
• Sensitivity: Air sensitive.
• Boil Point(°C): 160°C
• Melt Point(°C): 60°C
• Molecular Weight: 156.180 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.058 Da
• Monoisotopic Mass: 156.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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?

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 ?20 °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 in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 66-99-9, the molecular formula is C11H8O, and the molecular weight is 156.18 g/mol. InChIKey PJKVFARRVXDXAD-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.