5-(2-Chlorophenyl)furfural - ≥95% , CAS No.34035-04-6

CAS: 34035-04-6 Cat. No.: C467246 Molecular Weight: 206.63 EC Number: 622-983-0

GRADE & PURITY ≥95%

Synonyms

5-(2-Chlorophenyl)furfural, 95% | 5-(2-Chlorophenyl)-2-furaldehyde | 6F-027 | 2-Furancarboxaldehyde, 5-(2-chlorophenyl)- | FT-0639151 | Z56860346 | 5-(2-chloro-phenyl)furan-2-aldehyde | SCHEMBL1616299 | MFCD00216585 | SB61112 | STK070473 | 5-(2-Chloro-phe

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Description

5-(2-Chlorophenyl)furfural is a furfural derivative.5-(2-Chlorophenyl)furfural was used as one of the aldehydes in the synthesis of the uridine-based library.

Specifications

Synonyms

5-(2-Chlorophenyl)furfural, 95% | 5-(2-Chlorophenyl)-2-furaldehyde | 6F-027 | 2-Furancarboxaldehyde, 5-(2-chlorophenyl)- | FT-0639151 | Z56860346 | 5-(2-chloro-phenyl)furan-2-aldehyde | SCHEMBL1616299 | MFCD00216585 | SB61112 | STK070473 | 5-(2-Chloro-phe

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488190706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190706
• Canonical Smiles: C1=CC=C(C(=C1)C2=CC=C(O2)C=O)Cl
• IUPAC Name: 5-(2-chlorophenyl)furan-2-carbaldehyde
• InChIKey: ONQOZTFAOFZDFK-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
• Isomeric SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C=O)Cl
• Molecular Weight: 206.63
• Reaxy-Rn: 1369405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1369405&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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 68-72 °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: 207.000
• 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