1-Ethynyl-4-phenoxybenzene - ≥97% , CAS No.4200-06-0

CAS: 4200-06-0 Cat. No.: E170265 Fórmula: C₁₄H₁₀O Peso molecular: 194.23 Número CE: 626-025-2

GRADE & PURITY ≥97%

Synonyms

AB91834 | EN300-236440 | LKMNQDOAPYPSNH-UHFFFAOYSA-N | 4'-Phenoxyphenyl acetylene | 1-Ethynyl-4-phenoxybenzene | 1-ethynyl-4-phenoxy-benzene | MFCD03839992 | SCHEMBL309042 | DTXSID40509865 | Q-102464 | F2108-0336 | 1-Ethynyl-4-phenoxybenzene, 97% | AKOS00

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB91834 | EN300-236440 | LKMNQDOAPYPSNH-UHFFFAOYSA-N | 4'-Phenoxyphenyl acetylene | 1-Ethynyl-4-phenoxybenzene | 1-ethynyl-4-phenoxy-benzene | MFCD03839992 | SCHEMBL309042 | DTXSID40509865 | Q-102464 | F2108-0336 | 1-Ethynyl-4-phenoxybenzene, 97% | AKOS00

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504767236
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767236
• Sorrisos canónicos: C#CC1=CC=C(C=C1)OC2=CC=CC=C2
• IUPAC Name: 1-ethynyl-4-phenoxybenzene
• InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
• INCHI: 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
• SMILES isoméricas: C#CC1=CC=C(C=C1)OC2=CC=CC=C2
• WGK Alemanha: 3
• Peso molecular: 194.23
• Reaxy-Rn: 2257410
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2257410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 90-95°C/0.4mmHg
• Peso molecular: 194.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 194.073 Da
• Monoisotopic Mass: 194.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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