4-Fluoro-2-iodophenol - ≥97% , CAS No.2713-29-3

CAS: 2713-29-3 Cat. No.: F192457 Peso molecular: 238 Número EC: 958-204-9

GRADE & PURITY ≥97%

Synonyms

FTTVHYAABUMDNX-UHFFFAOYSA-N | 5-Fluoro-2-hydroxyiodobenzene | AS-813/43501942 | SY111305 | MB14767 | 2-iodo-4-fluorophenol | 4-Fluoro-2-iodophenol | 4-fluoro-2-iodo-phenol | MFCD15527539 | AKOS016000257 | SCHEMBL725043 | DS-13715 | DTXSID40436324 | Phenol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

FTTVHYAABUMDNX-UHFFFAOYSA-N | 5-Fluoro-2-hydroxyiodobenzene | AS-813/43501942 | SY111305 | MB14767 | 2-iodo-4-fluorophenol | 4-Fluoro-2-iodophenol | 4-fluoro-2-iodo-phenol | MFCD15527539 | AKOS016000257 | SCHEMBL725043 | DS-13715 | DTXSID40436324 | Phenol

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504765294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765294
• Sonrisas canónicas: C1=CC(=C(C=C1F)I)O
• IUPAC Name: 4-fluoro-2-iodophenol
• InChIKey: FTTVHYAABUMDNX-UHFFFAOYSA-N
• INCHI: 1S/C6H4FIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1F)I)O
• Peso molecular: 238
• Reaxy-Rn: 3236470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236470&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: O-iodophenols Iodobenzenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Aryl fluorides Organooxygen compounds Organoiodides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Organofluoride - 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

• Sensibilidad: Light sensitive
• Punto de inflamación (°C): 73 ºC
• Punto de ebullición (°C): 196 ºC
• Punto de fusión (°C): 120-123 ºC
• Peso molecular: 238.000 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.929 Da
• Monoisotopic Mass: 237.929 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