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

CAS: 371-41-5 Cat. No.: F107127 Formula: C₆H₅OF Molecular Weight: 112.1 Beilstein Registry Number: 1362752 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751861

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C1=CC(=CC=C1O)F

WGK Germany

1

RTECS

SL4550000

UN Number

2928

Molecular Weight

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
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (80 mg/ml at 20°C), methylene dichloride, chloroform and methanol
• Sensitivity: Air sensitive
• Flash Point(°F): 154.4 °F
• Flash Point(°C): 68℃
• Boil Point(°C): 185°C
• Melt Point(°C): 44-49°C
• Molecular Weight: 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