2-(2-Propynyloxy)naphthalene - ≥98% , CAS No.20009-28-3

CAS: 20009-28-3 Cat. No.: P160661 Formula: C₁₃H₁₀O Molecular Weight: 182.22 EC Number: 631-557-3 PubChem CID: 15689008

GRADE & PURITY ≥98%

Synonyms

AKOS008950828 | SCHEMBL9043883 | 2-(Propargyloxy)naphthalene | 2-(2-Propyn-1-yloxy)naphthalene | Naphthalene, 2-(2-propyn-1-yloxy)- | SY056558 | DTXSID70576929 | 2-(2-Propynyloxy)naphthalene | AS-61787 | 2-[(Prop-2-yn-1-yl)oxy]naphthalene | 2-(Prop-2-yn-1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS008950828 | SCHEMBL9043883 | 2-(Propargyloxy)naphthalene | 2-(2-Propyn-1-yloxy)naphthalene | Naphthalene, 2-(2-propyn-1-yloxy)- | SY056558 | DTXSID70576929 | 2-(2-Propynyloxy)naphthalene | AS-61787 | 2-[(Prop-2-yn-1-yl)oxy]naphthalene | 2-(Prop-2-yn-1

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488198955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198955

Canonical Smiles

C#CCOC1=CC2=CC=CC=C2C=C1

IUPAC Name

2-prop-2-ynoxynaphthalene

InChIKey

RACCOFGYHHVUQB-UHFFFAOYSA-N

INCHI

1S/C13H10O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10H,9H2

Isomeric SMILES

C#CCOC1=CC2=CC=CC=C2C=C1

PubChem CID

15689008

Molecular Weight

182.22

Reaxy-Rn

2084777

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: Alkyl aryl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Acetylide - 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

• x_boil_point_char: 83°C/1mmHg(lit.)
• x_melt_point_char: 60 °C
• Molecular Weight: 182.220 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 225.000
• 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 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 20009-28-3, the molecular formula is C13H10O, and the molecular weight is 182.22 g/mol. InChIKey RACCOFGYHHVUQB-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.