Bis(4-iodophenone)ketone - ≥95% , CAS No.5630-56-8

CAS: 5630-56-8 Cat. No.: B300341 Fórmula: C₁₃H₈I₂O Peso molecular: 434.01 Número EC: 167-200-9

GRADE & PURITY ≥95%

Synonyms

AKOS003595904 | bis(4-iodophenyl)methanone | DTXSID90292937 | NSC 86517 | HFRHPJJBHNBGBD-UHFFFAOYSA-N | Methanone, bis(4-iodophenyl)- | NSC86517 | NSC-86517 | Benzophenone,4'-diiodo- | 4,4'-Diiodobenzophenone | SCHEMBL1244094 | EN300-6479097

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

AKOS003595904 | bis(4-iodophenyl)methanone | DTXSID90292937 | NSC 86517 | HFRHPJJBHNBGBD-UHFFFAOYSA-N | Methanone, bis(4-iodophenyl)- | NSC86517 | NSC-86517 | Benzophenone,4'-diiodo- | 4,4'-Diiodobenzophenone | SCHEMBL1244094 | EN300-6479097

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528769785

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769785

Sonrisas canónicas

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)I)I

IUPAC Name

bis(4-iodophenyl)methanone

InChIKey

HFRHPJJBHNBGBD-UHFFFAOYSA-N

INCHI

1S/C13H8I2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

Isómeros SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)I)I

Peso molecular

434.01

Reaxy-Rn

1960132

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1960132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Iodobenzenes Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Ketone - Organooxygen compound - Organoiodide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 434.010 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 433.866 Da
• Monoisotopic Mass: 433.866 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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