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

CAS: 16188-57-1 Cat. No.: I305091 Summenformel: C₇H₇IO Molekulargewicht: 234.03 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504759554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759554
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC(=C(C=C1)O)I
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
• Empfindlichkeit: Air Sensitive；light sensitive
• Siedepunkt (°C): 208.9±20.0°C at 760 mmHg
• Schmelzpunkt (°C): 33 °C
• Molekulargewicht: 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