5-(3-Chlorophenyl)furfural - ≥95% , CAS No.22078-59-7

CAS: 22078-59-7 Cat. No.: C168694 Fórmula: C₁₁H₇ClO₂ Peso molecular: 206.63 Número EC: 624-320-0

CALIDAD & PUREZA ≥95%

Synonyms

5-(3-Chlorophenyl)furfural | 5-(3-Chlorophenyl)furfural, 95% | A815903 | 5-(3-chlorophenyl)-furfural | AKOS000108204 | Z56899030 | 2-Furanecarboxaldehyde, 5-(3-chlorophenyl)- | 5-(3-Chlorophenyl)-2-furaldehyde | EN300-17175 | J-019433 | BBL012748 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Descripción general

5-(3-Chlorophenyl)furfural is a furfural derivative.

Especificaciones

Sinónimos

5-(3-Chlorophenyl)furfural | 5-(3-Chlorophenyl)furfural, 95% | A815903 | 5-(3-chlorophenyl)-furfural | AKOS000108204 | Z56899030 | 2-Furanecarboxaldehyde, 5-(3-chlorophenyl)- | 5-(3-Chlorophenyl)-2-furaldehyde | EN300-17175 | J-019433 | BBL012748 | SCHEMB

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488190707

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190707

Sonrisas canónicas

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C=O

IUPAC Name

5-(3-chlorophenyl)furan-2-carbaldehyde

InChIKey

FIGLPGGFAIZKFQ-UHFFFAOYSA-N

INCHI

1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H

Isómeros SMILES

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C=O

WGK Alemania

3

Peso molecular

206.63

Reaxy-Rn

1241481

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1241481&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Punto de fusión (°C): 109-111 °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