Phenyl propargyl ether - ≥97% , CAS No.13610-02-1

CAS: 13610-02-1 Cat. No.: P113824 Summenformel: C₉H₈O Molekulargewicht: 132.16 Beilstein Registry Number: 2040910 EG-Nummer: 237-095-5

GRADE & PURITY ≥97%

Synonyms

Ether, phenyl 2-propynyl | Phenyl propargyl ether | phenyl-propargylether | phenyl prop-2-yn-1-yl ether | 3,5-Dimethoxy-4-hydroxytoluene | prop-2-ynyloxybenzene | Propargyl phenyl ether | 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- | Phenyl propargyl ether, te

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Ether, phenyl 2-propynyl | Phenyl propargyl ether | phenyl-propargylether | phenyl prop-2-yn-1-yl ether | 3,5-Dimethoxy-4-hydroxytoluene | prop-2-ynyloxybenzene | Propargyl phenyl ether | 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- | Phenyl propargyl ether, te

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488186191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186191
• Kanonisches Lächeln: C#CCOC1=CC=CC=C1
• IUPAC Name: prop-2-ynoxybenzene
• InChIKey: AIQRJSXKXVZCJO-UHFFFAOYSA-N
• INCHI: 1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2
• Isomere SMILES: C#CCOC1=CC=CC=C1
• WGK Deutschland: 3
• Molekulargewicht: 132.16
• Beilstein: 2040910
• Reaxy-Rn: 2040910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.533
• Flammpunkt (°F): 76 °C
• Flammpunkt (°C): 76°C
• Siedepunkt (°C): 89-90°C
• Molekulargewicht: 132.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 13610-02-1, the molecular formula is C9H8O, and the molecular weight is 132.16 g/mol. InChIKey AIQRJSXKXVZCJO-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.