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 CE: 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

Visão geral

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488190776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190776
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
• WGK Alemanha: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de fusão (°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

Referências

1. Yong Song, Jinsong Li, Shikang Liu, Bo Jin, Rufang Peng.  (2025)  Supramolecular Interaction-Mediated Diffusion Enhancement for Facilitated Synthesis of the Pharmaceutically Active Ingredient Dantrolene and Its Analogues via Spiral Gas–Solid Two-Phase Flow.  ORGANIC PROCESS RESEARCH & DEVELOPMENT,      [PMID:] [10.1021/acs.oprd.5c00291]