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 CE: 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-

Especificações e pureza

≥98%(GC)(T)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)(T)

Nomes e identificadores

• Pubchem Sid: 504759568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759568
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°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