1-Naphthaldehyde - ≥97% , CAS No.66-77-3

CAS: 66-77-3 Cat. No.: N111813 Formula: C₁₁H₈O Molecular Weight: 156.18 Beilstein Registry Number: 386082 EC Number: 200-633-4

GRADE & PURITY ≥97%

Synonyms

.ALPHA.-NAPHTHOALDEHYDE | BRN 0386082 | naphthalene-1-aldehyde | Naphthaldehyde | EINECS 200-633-4 | naphthalene-1-carbaldehyde | I-Napthaldehyde | naphthalene-1 carbaldehyde | 1-Naphthoaldehyde | InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8 | 4-N

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

.ALPHA.-NAPHTHOALDEHYDE | BRN 0386082 | naphthalene-1-aldehyde | Naphthaldehyde | EINECS 200-633-4 | naphthalene-1-carbaldehyde | I-Napthaldehyde | naphthalene-1 carbaldehyde | 1-Naphthoaldehyde | InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8 | 4-N

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488180017

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180017

Canonical Smiles

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

IUPAC Name

naphthalene-1-carbaldehyde

InChIKey

SQAINHDHICKHLX-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

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

WGK Germany

3

RTECS

QJ0190000

UN Number

1988

Molecular Weight

156.18

Beilstein

386082

Reaxy-Rn

386082

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386082&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: an aryl aldehyde

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)

B16-F10 (4610 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 ethanol, ether, acetone, benzene. Insoluble in water.
• Sensitivity: Air Sensitive
• Refractive Index: 1.65-1.654
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 160-161°C
• Melt Point(°C): 291 °C
• Molecular Weight: 156.180 g/mol
• XLogP3: 3.100
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 66-77-3, the molecular formula is C11H8O, and the molecular weight is 156.18 g/mol. InChIKey SQAINHDHICKHLX-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.