5-Iodo-1-indanone - ≥98% , CAS No.511533-38-3

CAS: 511533-38-3 Cat. No.: I342342 Peso molecular: 258.06 Número EC: 640-933-6

GRADE & PURITY ≥98%

Synonyms

AKOS015853853 | MB07544 | DTXSID20661192 | FT-0646278 | J-507000 | A828465 | 5-Iodo-2,3-dihydro-1H-inden-1-one | 5-iodo-2,3-dihydroinden-1-one | PS-3993 | 2,3-Dihydro-5-iodoinden-1-one | MFCD09744086 | SCHEMBL16082766 | 5-IODO-1-INDANONE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS015853853 | MB07544 | DTXSID20661192 | FT-0646278 | J-507000 | A828465 | 5-Iodo-2, 3-dihydro-1H-inden-1-one | 5-iodo-2, 3-dihydroinden-1-one | PS-3993 | 2, 3-Dihydro-5-iodoinden-1-one | MFCD09744086 | SCHEMBL16082766 | 5-IODO-1-INDANONE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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: 504770488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770488
• Sonrisas canónicas: C1CC(=O)C2=C1C=C(C=C2)I
• IUPAC Name: 5-iodo-2,3-dihydroinden-1-one
• InChIKey: XVDWDHAAIWZKRU-UHFFFAOYSA-N
• INCHI: 1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
• Isómeros SMILES: C1CC(=O)C2=C1C=C(C=C2)I
• Peso molecular: 258.06
• Reaxy-Rn: 9323737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9323737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl iodide - Aryl halide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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

• Sensibilidad: light sensitive
• Peso molecular: 258.060 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 257.954 Da
• Monoisotopic Mass: 257.954 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 178.000
• 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