3-(4-Chlorophenyl)benzaldehyde - ≥97% , CAS No.139502-80-0

CAS: 139502-80-0 Cat. No.: C167176 Fórmula: C₁₃H₉ClO Peso molecular: 216.66 Número EC: 622-533-3

GRADE & PURITY ≥97%

Synonyms

AKOS002683523 | EN300-352302 | FT-0643309 | 4 inverted exclamation mark -Chlorobiphenyl-3-carbaldehyde | W18872 | Z732812888 | SCHEMBL184896 | 4/'-CHLOROBIPHENYL-3-CARBALDEHYDE | SY040151 | [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro- | 4'-Chloro-biphenyl-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AKOS002683523 | EN300-352302 | FT-0643309 | 4 inverted exclamation mark -Chlorobiphenyl-3-carbaldehyde | W18872 | Z732812888 | SCHEMBL184896 | 4/'-CHLOROBIPHENYL-3-CARBALDEHYDE | SY040151 | [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro- | 4'-Chloro-biphenyl-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504760483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760483

Sonrisas canónicas

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

IUPAC Name

3-(4-chlorophenyl)benzaldehyde

InChIKey

JIBHWLKAALCSRU-UHFFFAOYSA-N

INCHI

1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H

Isómeros SMILES

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

WGK Alemania

2

Peso molecular

216.66

Reaxy-Rn

9045134

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9045134&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Benzaldehyde - Benzoyl - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl chloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl 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

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 56-60°C
• Peso molecular: 216.660 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.034 Da
• Monoisotopic Mass: 216.034 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 209.000
• 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