4-(4-Fluorophenylethynyl)phenol - ≥97% , CAS No.197770-48-2

CAS: 197770-48-2 Cat. No.: F156716 Fórmula: C₁₄H₉FO Peso molecular: 212.22 Número EC: 672-705-7

GRADE & PURITY ≥97%

Synonyms

4-[(4-Fluorophenyl)ethynyl]phenol, AldrichCPR | MFCD02093472 | 1-(4-Fluorophenyl)-2-(4-hydroxyphenyl)acetylene | 4-((4-Fluorophenyl)ethynyl)phenol | Phenol, 4-[(4-fluorophenyl)ethynyl]- | DTXSID50382045 | A813936 | SCHEMBL949444 | T72021 | F0423 | Phenol,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-[(4-Fluorophenyl)ethynyl]phenol, AldrichCPR | MFCD02093472 | 1-(4-Fluorophenyl)-2-(4-hydroxyphenyl)acetylene | 4-((4-Fluorophenyl)ethynyl)phenol | Phenol, 4-[(4-fluorophenyl)ethynyl]- | DTXSID50382045 | A813936 | SCHEMBL949444 | T72021 | F0423 | Phenol,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488193861

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193861

Sonrisas canónicas

C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)O

IUPAC Name

4-[2-(4-fluorophenyl)ethynyl]phenol

InChIKey

LIPHCUGEWJPCQB-UHFFFAOYSA-N

INCHI

1S/C14H9FO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H

Isómeros SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)O

Peso molecular

212.22

Reaxy-Rn

26964603

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26964603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol：very faint turbidity
• Punto de fusión (°C): 149 °C
• Peso molecular: 212.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.064 Da
• Monoisotopic Mass: 212.064 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 197770-48-2, the molecular formula is C14H9FO, and the molecular weight is 212.22 g/mol. InChIKey LIPHCUGEWJPCQB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.