3-Chloro-5-fluorophenol - ≥98% , CAS No.202982-70-5

CAS: 202982-70-5 Cat. No.: C588005 Peso molecular: 146.55 Número EC: 606-511-0

GRADE & PURITY ≥98%

Synonyms

ZMFBYTAAMHWQHD-UHFFFAOYSA-N | Phenol, 3-chloro-5-fluoro- | SCHEMBL221839 | 3-Chloro-5-fluorophenol, AldrichCPR | EN300-248338 | PS-8946 | MFCD00042212 | AKOS006230029 | FT-0657199 | 3-chloranyl-5-fluoranyl-phenol | AC-28533 | AM82862 | 3-Chloro-5-fluoroph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Application：

3-Chloro-5-fluorophenol is used as an intermediate in organic synthesis. It plays an important role in the preparation of substituted amides as antagonists and/or inverse agonists of cannabinoid-1 receptor, substituted N-(arylmethyl)aryloxy arylcarboxamide and heteroarylcarboxamide antagonists for the PGE2 receptor EP4 for the treatment of pain, inflammation, osteoarthritis, and rheumatoid arthritis.

Specifications

Sinónimos

ZMFBYTAAMHWQHD-UHFFFAOYSA-N | Phenol, 3-chloro-5-fluoro- | SCHEMBL221839 | 3-Chloro-5-fluorophenol, AldrichCPR | EN300-248338 | PS-8946 | MFCD00042212 | AKOS006230029 | FT-0657199 | 3-chloranyl-5-fluoranyl-phenol | AC-28533 | AM82862 | 3-Chloro-5-fluoroph

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504761848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761848
• Sonrisas canónicas: C1=C(C=C(C=C1F)Cl)O
• IUPAC Name: 3-chloro-5-fluorophenol
• InChIKey: ZMFBYTAAMHWQHD-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
• Isómeros SMILES: C1=C(C=C(C=C1F)Cl)O
• Peso molecular: 146.55
• Reaxy-Rn: 13904470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13904470&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: M-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-chlorophenol - 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 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: Immiscible with water.
• Índice de refracción: 1.537
• Peso molecular: 146.540 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.993 Da
• Monoisotopic Mass: 145.993 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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