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

CAS: 13610-02-1 Cat. No.: P113824 Peso molecular: 132.16 Beilstein Registry Number: 2040910 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186191
• Sonrisas canónicas: 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
• Isómeros SMILES: C#CCOC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.533
• Punto de inflamación (°F): 76 °C
• Punto de inflamación (°C): 76°C
• Punto de ebullición (°C): 89-90°C
• Peso molecular: 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