5-Bromo-β-tetralone - ≥97% , CAS No.132095-53-5

CAS: 132095-53-5 Cat. No.: B709011 Peso molecular: 225.1 Número EC: 854-091-4

GRADE & PURITY ≥97%

Synonyms

5-Bromo-2-tetralone | 5-Bromo-3,4-dihydronaphthalen-2(1H)-one | 2(1H)-Naphthalenone,5-bromo-3,4-dihydro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-Bromo-2-tetralone | 5-Bromo-3, 4-dihydronaphthalen-2(1H)-one | 2(1H)-Naphthalenone, 5-bromo-3, 4-dihydro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

≥97%

Nombres e identificadores

• Pubchem Sid: 528761817
• Sonrisas canónicas: C1CC2=C(CC1=O)C=CC=C2Br
• IUPAC Name: 5-bromo-3,4-dihydro-1H-naphthalen-2-one
• InChIKey: DDVQSZNNPLLKCW-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
• Isómeros SMILES: C1CC2=C(CC1=O)C=CC=C2Br
• Peso molecular: 225.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl bromides Cyclic ketones Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl halide - Aryl bromide - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

• Peso molecular: 225.080 g/mol
• XLogP3: 2.300
• 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: 190.000
• 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