2，4-dichloro-6-fluorophenol - ≥95% , CAS No.344-21-8

CAS: 344-21-8 Cat. No.: D727242 Fórmula: C₆H₃Cl₂FO Peso molecular: 180.99 PubChem CID: 13019012

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Propriedades do produto

ALogP

3.2

Nomes e identificadores

Sorrisos canónicos

C1=C(C=C(C(=C1F)O)Cl)Cl

IUPAC Name

2,4-dichloro-6-fluorophenol

InChIKey

NQLVRAWNANTXSI-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

SMILES isoméricas

C1=C(C=C(C(=C1F)O)Cl)Cl

PubChem CID

13019012

Peso molecular

180.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-chlorophenols O-fluorophenols O-chlorophenols Fluorobenzenes Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 2-fluorophenol - 4-chlorophenol - Fluorobenzene - Phenol - Aryl halide - Aryl fluoride - Aryl chloride - Organochloride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propriedades químicas e físicas

• Peso molecular: 180.990 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 179.954 Da
• Monoisotopic Mass: 179.954 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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