2-Iodo-4-methylphenol - ≥97% , CAS No.16188-57-1

CAS: 16188-57-1 Cat. No.: I305091 Peso molecular: 234.03 Número EC: 878-710-2

GRADE & PURITY ≥97%

Synonyms

4-methyl-2-Iodophenol | AMY28059 | 2-Jod-p-kresol | SCHEMBL724114 | DS-5871 | EN300-96174 | DTXSID20346917 | SY041376 | InChI=1/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H | 2-Iodo-4-methylphenol | I1132 | Z1269177064 | MB00839 | AKOS022172076 | Phenol, 2-iodo

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-methyl-2-Iodophenol | AMY28059 | 2-Jod-p-kresol | SCHEMBL724114 | DS-5871 | EN300-96174 | DTXSID20346917 | SY041376 | InChI=1/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4, 9H, 1H | 2-Iodo-4-methylphenol | I1132 | Z1269177064 | MB00839 | AKOS022172076 | Phenol, 2-iodo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759554
• Sonrisas canónicas: CC1=CC(=C(C=C1)O)I
• IUPAC Name: 2-iodo-4-methylphenol
• InChIKey: JITSLEIKSRKKCZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1)O)I
• Peso molecular: 234.03
• Reaxy-Rn: 2078748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Para cresols
• Alternative Parents: O-iodophenols Toluenes Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halophenol - 2-iodophenol - P-cresol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Toluene - Aryl iodide - Aryl halide - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
• 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

• Solubilidad: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilidad: Air Sensitive；light sensitive
• Punto de ebullición (°C): 208.9±20.0°C at 760 mmHg
• Punto de fusión (°C): 33 °C
• Peso molecular: 234.030 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 233.954 Da
• Monoisotopic Mass: 233.954 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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