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

CAS: 71643-66-8 Cat. No.: C153519 Summenformel: C₆H₄ClIO Molekulargewicht: 254.45 EG-Nummer: 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

Synonyme

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-

Spezifikationen & Reinheit

≥98%(GC)(T)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)(T)

Namen und Kennungen

• Pubchem Sid: 504759568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759568
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=C(C=C1Cl)I)O
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Chlorophenols
          • Ebene6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 77 °C
• Molekulargewicht: 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