2,4-Difluorophenol - ≥99% , CAS No.367-27-1

CAS: 367-27-1 Cat. No.: D120804 Formula: F₂C₆H₃OH Molecular Weight: 130.09 Beilstein Registry Number: 1934803 EC Number: 206-688-0

GRADE & PURITY ≥99%

Synonyms

Biolf 62|2.4-difluorophenol|Phenol, 2,4-difluoro-|2, 4 difluorophenol|Dacatic|2,4 difluoro phenol|2,4-diflurophenol|VALACYCLOVIR HYDROCHLORIDE [USP-RS]|2,4difluorophenol|2,4-Difluorophenol|2,4-di-fluorophenol|2,4-difluoro-phenol|Didanosinum (INN-Latin)|2,4-difluoro phenol

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

2,4-Difluorophenol has been used:as starting reagent during the synthesis of 4,6-difluoro-5,7-dihydroxytryptamine；in the synthesis of 3-carboxy-6,8-difluoro-7-hydroxycoumarin (Pacific Blue), fluorinated fluorescent dye

Specifications

Synonyms

Biolf 62 | 2.4-difluorophenol | Phenol, 2,4-difluoro- | 2, 4 difluorophenol | Dacatic | 2,4 difluoro phenol | 2,4-diflurophenol | VALACYCLOVIR HYDROCHLORIDE [USP-RS] | 2,4difluorophenol | 2,4-Difluorophenol | 2,4-di-fluorophenol | 2,4-difluoro-phenol | Didanosinum (INN-Latin) | 2,4-difluoro phenol

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

528755396

Canonical Smiles

C1=CC(=C(C=C1F)F)O

IUPAC Name

2,4-difluorophenol

InChIKey

NVWVWEWVLBKPSM-UHFFFAOYSA-N

INCHI

1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

Isomeric SMILES

C1=CC(=C(C=C1F)F)O

WGK Germany

3

UN Number

2921

Molecular Weight

130.09

Beilstein

1934803

Reaxy-Rn

1934803

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934803&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: O-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 2-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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.486
• Flash Point(°F): 134.6 °F
• Flash Point(°C): 56°(132°F)
• Boil Point(°C): 52-54°/14mmHg
• Melt Point(°C): 22.4°C
• Molecular Weight: 130.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.023 Da
• Monoisotopic Mass: 130.023 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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