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

CAS: 79887-14-2 Cat. No.: E156344 Summenformel: C₁₀H₁₀O Molekulargewicht: 146.19 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

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

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504761897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761897
• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC1=CC=C(C=C1)C#C
• Molekulargewicht: 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
    • 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive ;Heat sensitive
• Brechungsindex: 1.55
• Flammpunkt (°C): 76 °C
• Molekulargewicht: 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