5-(4-Chlorophenyl)furfural - ≥95% , CAS No.34035-03-5

CAS: 34035-03-5 Cat. No.: C169710 Molecular Weight: 206.63 EC Number: 623-617-2

GRADE & PURITY ≥95%

Synonyms

C3388 | BB 0222872 | Cambridge id 7179578 | 6F-017 | A822049 | InChI=1/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7 | STK089506 | SCHEMBL1143469 | 5-(4-Chlorophenyl)furfural | J-640055 | 5-(4-chlorophenyl)-2-furaldehyde | 5-(p-chlorophenyl)-2-fur

Storage

Room temperature

Shipped In

Normal

Overview

5-(4-Chlorophenyl)furfural is a furfural derivative.

Specifications

Synonyms

C3388 | BB 0222872 | Cambridge id 7179578 | 6F-017 | A822049 | InChI=1/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7 | STK089506 | SCHEMBL1143469 | 5-(4-Chlorophenyl)furfural | J-640055 | 5-(4-chlorophenyl)-2-furaldehyde | 5-(p-chlorophenyl)-2-fur

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488191049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191049
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(O2)C=O)Cl
• IUPAC Name: 5-(4-chlorophenyl)furan-2-carbaldehyde
• InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClO2/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)Cl
• WGK Germany: 3
• Molecular Weight: 206.63
• Reaxy-Rn: 135288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135288&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: Chlorobenzenes
• Alternative Parents: Aryl-aldehydes Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organochloride - 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 chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 128-131 °C
• Molecular Weight: 206.620 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.013 Da
• Monoisotopic Mass: 206.013 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]