4'-Iodoacetophenone - ≥98% , CAS No.13329-40-3

CAS: 13329-40-3 Cat. No.: I107027 Formule: C₈H₇IO Poids moléculaire: 246.05 Beilstein Registry Number: 7(3)989 Numéro CE: 236-372-8

GRADE & PURITY ≥98%

Synonyms

4-iodophenyl methyl ketone | 1-(4-Iodophenyl)ethan-1-one | NSC 97396 | 4/'-Iodoacetophenone | EINECS 236-372-8 | Fluonex | BCP22400 | Ethanone, 1-(4-iodophenyl)- | InChI=1/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H | perfluorohexanes | 4 inverted exclamation

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

4-iodophenyl methyl ketone | 1-(4-Iodophenyl)ethan-1-one | NSC 97396 | 4/'-Iodoacetophenone | EINECS 236-372-8 | Fluonex | BCP22400 | Ethanone, 1-(4-iodophenyl)- | InChI=1/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H | perfluorohexanes | 4 inverted exclamation

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

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

≥98%

Noms et identifiants

• Pubchem Sid: 504754672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754672
• Sourires canoniques: CC(=O)C1=CC=C(C=C1)I
• IUPAC Name: 1-(4-iodophenyl)ethanone
• InChIKey: JZJWCDQGIPQBAO-UHFFFAOYSA-N
• INCHI: 1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
• Isomères SMILES: CC(=O)C1=CC=C(C=C1)I
• WGK Allemagne: 3
• Poids moléculaire: 246.05
• Beilstein: 7(3)989
• Reaxy-Rn: 1857412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Iodobenzenes Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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: Easily soluble in water.
• Sensibilité: Light sensitive.
• Point de fusion (°C): 82-84°C
• Poids moléculaire: 246.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.954 Da
• Monoisotopic Mass: 245.954 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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

Références

1. Yanqi Ban, Hui Wang, Zixuan Xiao, Lishui Sun, Qingyan Pan, Yingjie Zhao.  (2023)  Interfacial Synthesis of an Ultrathin Two-Dimensional Polymer Film via [2 + 2] Photocycloaddition.  MOLECULES,  28  (4): (1930).  [PMID:36838919] [10.3390/molecules28041930]