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

CAS: 16188-57-1 Cat. No.: I305091 Formule: C₇H₇IO Poids moléculaire: 234.03 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504759554

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759554

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilité: Air Sensitive；light sensitive
• Point d'ébullition (°C): 208.9±20.0°C at 760 mmHg
• Point de fusion (°C): 33 °C
• Poids moléculaire: 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