4-Bromo-2-methyl-1-indanone - ≥98%(GC) , CAS No.174702-59-1

CAS: 174702-59-1 Cat. No.: B151860 Peso molecular: 225.09 Número EC: 692-960-8

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD09881709 | DTXSID80441437 | 2-methyl-4-bromo-1-indanone | B5096 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-2-methyl- | BB 0220660 | DS-15987 | A854836 | AKOS005174974 | 4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one | 4-bromo-2-methyl-1-indanone | F19995 | 4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09881709 | DTXSID80441437 | 2-methyl-4-bromo-1-indanone | B5096 | 1H-Inden-1-one, 4-bromo-2, 3-dihydro-2-methyl- | BB 0220660 | DS-15987 | A854836 | AKOS005174974 | 4-Bromo-2-methyl-2, 3-dihydro-1H-inden-1-one | 4-bromo-2-methyl-1-indanone | F19995 | 4-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488196704
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196704
• Sonrisas canónicas: CC1CC2=C(C1=O)C=CC=C2Br
• IUPAC Name: 4-bromo-2-methyl-2,3-dihydroinden-1-one
• InChIKey: AHMJTIYXKJRVFF-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrO/c1-6-5-8-7(10(6)12)3-2-4-9(8)11/h2-4,6H,5H2,1H3
• Isómeros SMILES: CC1CC2=C(C1=O)C=CC=C2Br
• Peso molecular: 225.09
• Reaxy-Rn: 7474014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7474014&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 bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - 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

• Solubilidad: Soluble in Toluene
• Punto de inflamación (°C): 99 °C
• Punto de ebullición (°C): 134°C/2mmHg(lit.)
• Punto de fusión (°C): 27 °C
• Peso molecular: 225.080 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 223.984 Da
• Monoisotopic Mass: 223.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1