5-Chloro-2-furaldehyde - ≥97% , CAS No.21508-19-0

CAS: 21508-19-0 Cat. No.: D303050 Molecular Weight: 130.53 EC Number: 627-276-0

GRADE & PURITY ≥97%

Synonyms

SCHEMBL511168 | DTXSID00944117 | DS-9137 | SY031372 | W-200218 | 5-Chloro-2-furaldehyde, 98% | 5-chlorofuran-2-carboxaldehyde | C5H3ClO2 | MFCD02752599 | 5-chlorofuran-2 carbaldehyde | 5-Chloro-2-furaldehyde | BBL100004 | EN300-18303 | 5-chlorofurfural |

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Product Introduction
5-Chloro-2-furaldehyde is also known as 5-chlorofurfural. It reacts with aniline and aniline hydrochloride to form bis-(phenylamino) derivatives, without the furan ring cleavage.It also undergoes coupling with ethyl acetoacetate to form the corresponding ethyl bis-acetoacetate.
Product Usage
5-Chloro-2-furaldehyde may be used as an internal standard during the analysis of furanic compounds by reversed-phase-high performance liquid chromatography–diode array detection (RP-HPLC–DAD) method.

Specifications

Synonyms

SCHEMBL511168 | DTXSID00944117 | DS-9137 | SY031372 | W-200218 | 5-Chloro-2-furaldehyde, 98% | 5-chlorofuran-2-carboxaldehyde | C5H3ClO2 | MFCD02752599 | 5-chlorofuran-2 carbaldehyde | 5-Chloro-2-furaldehyde | BBL100004 | EN300-18303 | 5-chlorofurfural |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761777
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761777
• Canonical Smiles: C1=C(OC(=C1)Cl)C=O
• IUPAC Name: 5-chlorofuran-2-carbaldehyde
• InChIKey: DGAUAVDWXYXXGQ-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClO2/c6-5-2-1-4(3-7)8-5/h1-3H
• Isomeric SMILES: C1=C(OC(=C1)Cl)C=O
• Molecular Weight: 130.53
• Reaxy-Rn: 108401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Aryl halide - Aryl chloride - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Sensitive to air
• Boil Point(°C): 70℃/10mm
• Melt Point(°C): 33-37℃(lit.)
• Molecular Weight: 130.530 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.982 Da
• Monoisotopic Mass: 129.982 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.400
• 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