4-Amino-2-iodophenol - ≥95%(HPLC) , CAS No.89640-51-7

CAS: 89640-51-7 Cat. No.: A464039 Molecular Weight: 235.03 EC Number: 694-409-7

GRADE & PURITY ≥95%(HPLC)

Synonyms

MFCD06656564 | SCHEMBL1628474 | DTXSID10549051 | EN300-1272192 | AKOS015150482 | GUGSDWSSHLBVST-UHFFFAOYSA-N | 4-Amino-2-iodophenol, >=95.0% (HPLC) | D84192 | FT-0677587 | AM20041350 | 3-Iodo-4-hydroxyaniline | 4-HYDROXY-3-IODOANILINE | 4-hydroxy-3-iodo-a

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD06656564 | SCHEMBL1628474 | DTXSID10549051 | EN300-1272192 | AKOS015150482 | GUGSDWSSHLBVST-UHFFFAOYSA-N | 4-Amino-2-iodophenol, >=95.0% (HPLC) | D84192 | FT-0677587 | AM20041350 | 3-Iodo-4-hydroxyaniline | 4-HYDROXY-3-IODOANILINE | 4-hydroxy-3-iodo-a

Specifications & Purity

≥95%(HPLC)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767495
• Canonical Smiles: C1=CC(=C(C=C1N)I)O
• IUPAC Name: 4-amino-2-iodophenol
• InChIKey: GUGSDWSSHLBVST-UHFFFAOYSA-N
• INCHI: 1S/C6H6INO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
• Isomeric SMILES: C1=CC(=C(C=C1N)I)O
• Molecular Weight: 235.03
• Reaxy-Rn: 2716290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 O-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: O-iodophenols
• Alternative Parents: p-Aminophenols Aniline and substituted anilines Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Primary amines Organopnictogen compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - P-aminophenol - Aniline or substituted anilines - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Amine - Organoiodide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-iodophenols. These are iodophenols carrying a iodine at the C2 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

Chemical and Physical Properties

• Sensitivity: air sensitive；light sensitive
• Melt Point(°C): 110-120 °C
• Molecular Weight: 235.020 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 234.949 Da
• Monoisotopic Mass: 234.949 Da
• Topological Polar Surface Area: 46.300 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