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

CAS: 20005-42-9 Cat. No.: B132820 Molecular Weight: 251.08 Beilstein Registry Number: 17(5)10,297 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488190776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190776
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 152-155°C
• Molecular Weight: 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

References

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]