4-Chloro-2-iodophenol - ≥98%(GC)(T) , CAS No.71643-66-8

CAS: 71643-66-8 Cat. No.: C153519 Fórmula: C₆H₄ClIO Peso molecular: 254.45 Número EC: 615-320-1

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Phenol, 4-chloro-2-iodo- | AKOS015890624 | AC-26935 | PS-7424 | A22600 | AM82968 | 2-iodo-4-chlorophenol | MB05977 | MFCD08235248 | BCP08792 | DTXSID70347333 | FT-0649508 | 4-chloro-2-iodo phenol | J-514953 | SY040773 | 4-Chloro-2-iodophenol | 4-Chloro-2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Phenol, 4-chloro-2-iodo- | AKOS015890624 | AC-26935 | PS-7424 | A22600 | AM82968 | 2-iodo-4-chlorophenol | MB05977 | MFCD08235248 | BCP08792 | DTXSID70347333 | FT-0649508 | 4-chloro-2-iodo phenol | J-514953 | SY040773 | 4-Chloro-2-iodophenol | 4-Chloro-2-

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 504759568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759568
• Sonrisas canónicas: C1=CC(=C(C=C1Cl)I)O
• IUPAC Name: 4-chloro-2-iodophenol
• InChIKey: JKPLMQJLGBBFLO-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1Cl)I)O
• Peso molecular: 254.45
• Reaxy-Rn: 2516736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2516736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: O-iodophenols Iodobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Aryl chlorides Organooxygen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols 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

• Punto de fusión (°C): 77 °C
• Peso molecular: 254.450 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.9 Da
• Monoisotopic Mass: 253.9 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