2′-Bromo-4′,5′-(ethylenedioxy)acetophenone - ≥98% , CAS No.59820-90-5

CAS: 59820-90-5 Cat. No.: B337698 Peso molecular: 257.09

GRADE & PURITY ≥98%

Synonyms

STK298914 | 2'-Bromo-4',5'-(ethylenedioxy)acetophenone | PS-5262 | AMY1610 | 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone | FT-0605806 | 1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone | AKOS000112383 | A832484 | 2-BROMO-4,5-ETHYLENEDIOXYACET

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

STK298914 | 2'-Bromo-4', 5'-(ethylenedioxy)acetophenone | PS-5262 | AMY1610 | 1-(6-bromo-2, 3-dihydro-1, 4-benzodioxin-7-yl)ethanone | FT-0605806 | 1-(7-bromo-2, 3-dihydro-1, 4-benzodioxin-6-yl)ethanone | AKOS000112383 | A832484 | 2-BROMO-4, 5-ETHYLENEDIOXYACET

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 488192731
• Sonrisas canónicas: CC(=O)C1=CC2=C(C=C1Br)OCCO2
• IUPAC Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
• InChIKey: WBSQNDBQUDSQCV-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3H2,1H3
• Isómeros SMILES: CC(=O)C1=CC2=C(C=C1Br)OCCO2
• Peso molecular: 257.09
• Reaxy-Rn: 24108504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24108504&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Acetophenones Aryl alkyl ketones Alkyl aryl ethers Para dioxins Aryl bromides Vinylogous halides Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Acetophenone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Para-dioxin - Vinylogous halide - Ketone - Ether - Oxacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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: 257.079 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.974 Da
• Monoisotopic Mass: 255.974 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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