4-Fluorophenol - ≥99% , CAS No.371-41-5

CAS: 371-41-5 Cat. No.: F107127 Fórmula: C₆H₅OF Peso molecular: 112.1 Beilstein Registry Number: 1362752 Número EC: 206-736-0

GRADE & PURITY ≥99%

Synonyms

CCG-302492 | 4-06-00-00773 (Beilstein Handbook Reference) | 4fluorophenol | 4-FLUOROPHENOL | 4-Fluoro-phenol | p-Fluorophenol | p-fluoro-phenol | UNII-K6DT6TR5E5 | 4-HYDROXYPHENYL FLUORIDE | 4fluoro phenol | 4-fluoro phenol | AKOS000119023 | 1219804-93-9

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

CCG-302492 | 4-06-00-00773 (Beilstein Handbook Reference) | 4fluorophenol | 4-FLUOROPHENOL | 4-Fluoro-phenol | p-Fluorophenol | p-fluoro-phenol | UNII-K6DT6TR5E5 | 4-HYDROXYPHENYL FLUORIDE | 4fluoro phenol | 4-fluoro phenol | AKOS000119023 | 1219804-93-9

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504751861

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751861

Sonrisas canónicas

C1=CC(=CC=C1O)F

IUPAC Name

4-fluorophenol

InChIKey

RHMPLDJJXGPMEX-UHFFFAOYSA-N

INCHI

1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Isómeros SMILES

C1=CC(=CC=C1O)F

WGK Alemania

1

RTECS

SL4550000

Número ONU

2928

Peso molecular

112.1

Beilstein

1362752

Reaxy-Rn

1362752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - 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 p-fluorophenols. These are fluorophenols carrying a iodine at the C4 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (80 mg/ml at 20°C), methylene dichloride, chloroform and methanol
• Sensibilidad: Air sensitive
• Punto de inflamación (°F): 154.4 °F
• Punto de inflamación (°C): 68℃
• Punto de ebullición (°C): 185°C
• Punto de fusión (°C): 44-49°C
• Peso molecular: 112.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.032 Da
• Monoisotopic Mass: 112.032 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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