2-Ethynyl-6-methoxynaphthalene - ≥97% , CAS No.129113-00-4

CAS: 129113-00-4 Cat. No.: E337285 Summenformel: C₁₃H₁₀O Molekulargewicht: 182.22 EG-Nummer: 628-422-6

QUALITÄT & REINHEIT ≥97%

Synonyms

Naphthalene, 2-ethynyl-6-methoxy-|2-Ethynyl-6-methoxynaphthalene 97|2-Ethynyl-6-methoxynaphthalene|2-ethynyl-6-methoxy-naphthalene|6-Methoxy 2-naphthylacetylene|2-ETHYNYL-6-METHOXYNAPHTHALENE97|8-Quinolinecarboxylicacid, 6-bromo-

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

Naphthalene, 2-ethynyl-6-methoxy- | 2-Ethynyl-6-methoxynaphthalene 97 | 2-Ethynyl-6-methoxynaphthalene | 2-ethynyl-6-methoxy-naphthalene | 6-Methoxy 2-naphthylacetylene | 2-ETHYNYL-6-METHOXYNAPHTHALENE97 | 8-Quinolinecarboxylicacid, 6-bromo-

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194914

Kanonisches Lächeln

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

IUPAC Name

2-ethynyl-6-methoxynaphthalene

InChIKey

PATPLTUFXUXNDY-UHFFFAOYSA-N

INCHI

1S/C13H10O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-9H,2H3

Isomere SMILES

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

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

182.22

Reaxy-Rn

3540090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3540090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 110-114° C (lit.)
• Molekulargewicht: 182.220 g/mol
• XLogP3: 3.400
• 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: 237.000
• 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

Häufig gestellte Fragen

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 at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 129113-00-4, the molecular formula is C13H10O, and the molecular weight is 182.22 g/mol. InChIKey PATPLTUFXUXNDY-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.