5-(4-bromophenyl)furfural - ≥97% , CAS No.20005-42-9

CAS: 20005-42-9 Cat. No.: B132820 Fórmula: C₁₁H₇BrO₂ Peso molecular: 251.08 Beilstein Registry Number: 17(5)10,297 Número EC: 624-558-5

GRADE & PURITY ≥97%

Synonyms

5-(4-bromophenyl)-2-furancarbaldehyde | Z57915937 | 2-Furancarboxaldehyde, 5-(4-bromophenyl)- | InChI=1/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7 | B3295 | 5-P-Bromophenyl furancarboxaldehyde | 5-(4-bromophenyl)furan-2-carbaldehyde | 5-(4-Brom

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

5-(4-Bromophenyl)furfural is an aromatic aldehyde. Oxone oxidation of 5-(4-bromophenyl)furfural has been reported to afford γ-keto carboxylic acid

Specifications

Sinónimos

5-(4-bromophenyl)-2-furancarbaldehyde | Z57915937 | 2-Furancarboxaldehyde, 5-(4-bromophenyl)- | InChI=1/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7 | B3295 | 5-P-Bromophenyl furancarboxaldehyde | 5-(4-bromophenyl)furan-2-carbaldehyde | 5-(4-Brom

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488190776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190776

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(O2)C=O)Br

IUPAC Name

5-(4-bromophenyl)furan-2-carbaldehyde

InChIKey

QRTAOOSYSVHQGT-UHFFFAOYSA-N

INCHI

1S/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H

Isómeros SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=O)Br

WGK Alemania

3

Peso molecular

251.08

Beilstein

17(5)10,297

Reaxy-Rn

974299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=974299&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl-aldehydes Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl-aldehyde - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 152-155°C
• Peso molecular: 251.080 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.963 Da
• Monoisotopic Mass: 249.963 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• 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