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

CAS: 22078-59-7 Cat. No.: C168694 Formula: C₁₁H₇ClO₂ Peso molecolare: 206.63 Numero EC: 624-320-0

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488190707

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 109-111 °C
• Peso molecolare: 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