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

CAS: 197770-48-2 Cat. No.: F156716 Formula: C₁₄H₉FO Peso molecolare: 212.22 Numero 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

Sinonimi

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,

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488193861
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193861
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)O
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

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

Proprietà chimiche e fisiche

• Solubilità: Solubility in Methanol：very faint turbidity
• Punto di fusione (°C): 149 °C
• Peso molecolare: 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

Domande frequenti

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.