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

CAS: 13329-40-3 Cat. No.: I107027 Fórmula: C₈H₇IO Peso molecular: 246.05 Beilstein Registry Number: 7(3)989 Número EC: 236-372-8

CALIDAD & PUREZA ≥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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%

Nombres e identificadores

Pubchem Sid

504754672

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754672

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Easily soluble in water.
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 82-84°C
• Peso molecular: 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13329-40-3, the molecular formula is C8H7IO, and the molecular weight is 246.05 g/mol. InChIKey JZJWCDQGIPQBAO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.