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

CAS: 34035-04-6 Cat. No.: C467246 Fórmula: C₁₁H₇ClO₂ Peso molecular: 206.63 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488190706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190706
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C(C(=C1)C2=CC=C(O2)C=O)Cl
• Peso molecular: 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
    • 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: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de fusão (°C): 68-72 °C
• Peso molecular: 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