4-Ethoxy-3-fluorophenol - ≥97% , CAS No.98121-48-3

CAS: 98121-48-3 Cat. No.: E590877 Fórmula: C8H9FO2 Número CE: 899-271-3

GRADE & PURITY ≥97%

Synonyms

AS-58030 | MFCD21984328 | Phenol, 4-ethoxy-3-fluoro- | EN300-6776915 | WGANANYZKYVOBZ-UHFFFAOYSA-N | 4-Ethoxy-3-fluorophenol | SCHEMBL1510012 | 3-fluoro-4-ethoxyphenol | DTXSID00594338 | AKOS022794291

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AS-58030 | MFCD21984328 | Phenol, 4-ethoxy-3-fluoro- | EN300-6776915 | WGANANYZKYVOBZ-UHFFFAOYSA-N | 4-Ethoxy-3-fluorophenol | SCHEMBL1510012 | 3-fluoro-4-ethoxyphenol | DTXSID00594338 | AKOS022794291

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CCOC1=C(C=C(C=C1)O)F
• IUPAC Name: 4-ethoxy-3-fluorophenol
• InChIKey: WGANANYZKYVOBZ-UHFFFAOYSA-N
• INCHI: 1S/C8H9FO2/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5,10H,2H2,1H3
• SMILES isoméricas: CCOC1=C(C=C(C=C1)O)F
• Reaxy-Rn: 14740139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14740139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers M-fluorophenols Fluorobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - 3-halophenol - 3-fluorophenol - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the 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

• Peso molecular: 156.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.059 Da
• Monoisotopic Mass: 156.059 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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