3-Chloro-4-iodophenol - ≥97% , CAS No.855403-42-8

CAS: 855403-42-8 Cat. No.: C590357 Summenformel: C₆H₄ClIO Molekulargewicht: 254.45 EG-Nummer: 866-544-3

GRADE & PURITY ≥97%

Synonyms

3-Chloro-4-iodo phenol | AKOS025396420 | SCHEMBL2552190 | 3-CHLORO-4-IODOPHENOL | A863546 | MFCD17000018 | SY113290 | EN300-41489 | Phenol, 3-?chloro-?4-?iodo- | MB25466 | DS-8688 | I11457 | AMY28377

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

3-Chloro-4-iodo phenol | AKOS025396420 | SCHEMBL2552190 | 3-CHLORO-4-IODOPHENOL | A863546 | MFCD17000018 | SY113290 | EN300-41489 | Phenol, 3-?chloro-?4-?iodo- | MB25466 | DS-8688 | I11457 | AMY28377

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=C(C=C1O)Cl)I
• IUPAC Name: 3-chloro-4-iodophenol
• InChIKey: DIBGHLUZOSSRIT-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClIO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
• Isomere SMILES: C1=CC(=C(C=C1O)Cl)I
• Molekulargewicht: 254.45
• Reaxy-Rn: 3236446
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236446&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Iodophenols
          • Ebene6 P-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: P-iodophenols
• Alternative Parents: M-chlorophenols Iodobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Vinyl iodides Vinyl chlorides Iodoalkenes Chloroalkenes Organooxygen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-iodophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Iodoalkene - Chloroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-iodophenols. These are iodophenols 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 254.450 g/mol
• XLogP3: 2.800
• 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