4-Iodo-2-methylphenol - ≥98% , CAS No.60577-30-2

CAS: 60577-30-2 Cat. No.: I343177 Formula: C₇H₇IO Peso molecolare: 234.03 Numero EC: 628-288-9

GRADE & PURITY ≥98%

Synonyms

A832796 | Phenol, 2-methyl-4-iodo | 4-iodanyl-2-methyl-phenol | 4-Iodo-o-cresol | AS-57472 | Phenol, 4-iodo-2-methyl- | SY041794 | D70129 | AKOS005259802 | 2-hydroxy-5-iodotoluene | FT-0640703 | SCHEMBL172779 | MFCD00075092 | 2-methyl-4-iodophenol | 4-Iod

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

4-Iodo-2-methylphenol was prepared by direct iodination of 2-methylphenol in aqueous alcohol solvents by the action of a reagent prepared in situ from sodium hypochlorite and sodium iodide.

Application

4-Iodo-2-methylphenol was used as starting reagent in the synthesis of an agonist for the peroxisome proliferator-activated receptor δ (PPARδ) GW501516, a potential antiobesity drug.

Specifications

Sinonimi

A832796 | Phenol, 2-methyl-4-iodo | 4-iodanyl-2-methyl-phenol | 4-Iodo-o-cresol | AS-57472 | Phenol, 4-iodo-2-methyl- | SY041794 | D70129 | AKOS005259802 | 2-hydroxy-5-iodotoluene | FT-0640703 | SCHEMBL172779 | MFCD00075092 | 2-methyl-4-iodophenol | 4-Iod

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504757264

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757264

Sorrisi canonici

CC1=C(C=CC(=C1)I)O

IUPAC Name

4-iodo-2-methylphenol

InChIKey

WSBDSSKIWDFOBQ-UHFFFAOYSA-N

INCHI

1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

Isomeri SMILES

CC1=C(C=CC(=C1)I)O

Peso molecolare

234.03

Reaxy-Rn

2516075

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2516075&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di ebollizione (°C): 105-110 °C/2 mmHg (lit.)
• Punto di fusione (°C): 67-68 °C (lit.)
• Peso molecolare: 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