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

CAS: 20005-42-9 Cat. No.: B132820 Formule: C₁₁H₇BrO₂ Poids moléculaire: 251.08 Beilstein Registry Number: 17(5)10,297 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488190776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190776
• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
• WGK Allemagne: 3
• Poids moléculaire: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point de fusion (°C): 152-155°C
• Poids moléculaire: 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

Références

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]