1-Ethoxy-4-ethynylbenzene - ≥98%(GC) , CAS No.79887-14-2

CAS: 79887-14-2 Cat. No.: E156344 Fórmula: C₁₀H₁₀O Peso molecular: 146.19 Número CE: 641-151-8

GRADE & PURITY ≥98%(GC)

Synonyms

E1029 | 1-ethoxy-4-eth-1-ynylbenzene | FT-0607729 | EN300-102634 | 1-ethoxy-4-ethynylbenzene | 1-ethoxy-4-ethynyl-benzene | A19190 | GS-3332 | Z1080385490 | DTXSID90379398 | 4-ethoxy-1-ethynyl-benzene | p-ethoxyethynylbenzene | SCHEMBL163203 | 4'-Ethoxyph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

E1029 | 1-ethoxy-4-eth-1-ynylbenzene | FT-0607729 | EN300-102634 | 1-ethoxy-4-ethynylbenzene | 1-ethoxy-4-ethynyl-benzene | A19190 | GS-3332 | Z1080385490 | DTXSID90379398 | 4-ethoxy-1-ethynyl-benzene | p-ethoxyethynylbenzene | SCHEMBL163203 | 4'-Ethoxyph

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504761897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761897
• Sorrisos canónicos: CCOC1=CC=C(C=C1)C#C
• IUPAC Name: 1-ethoxy-4-ethynylbenzene
• InChIKey: FRGNOZUOTHMJSC-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3
• SMILES isoméricas: CCOC1=CC=C(C=C1)C#C
• Peso molecular: 146.19
• Reaxy-Rn: 6856744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6856744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive ;Heat sensitive
• Índice de refração: 1.55
• Ponto de inflamação (°C): 76 °C
• Peso molecular: 146.190 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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