3-(3,4-Dichlorophenoxy)benzaldehyde - ≥97% , CAS No.79124-76-8

CAS: 79124-76-8 Cat. No.: D466998 Fórmula: Cl₂C₆H₃OC₆H₄CHO Peso molecular: 267.11 Número EC: 279-069-6

GRADE & PURITY ≥97%

Synonyms

A839591 | (3-(3,4-DICHLOROPHENOXY)PHENYL)FORMALDEHYDE | DTXSID0022303 | 3-(3,4-Dichlorophenoxy)benzaldehyde, 94% | D84610 | 98S99P2ILL | 3-(3,4-Dichlorophenoxy)benzaldehyde | 3-(3,4-Dichlorophenoxy)-benzaldehyde | SCHEMBL413263 | AKOS009158519 | J-510563

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Description

3-(3,4-Dichlorophenoxy)benzaldehyde on condensation with acetophenone yields chalcone.

Specifications

Sinónimos

A839591 | (3-(3,4-DICHLOROPHENOXY)PHENYL)FORMALDEHYDE | DTXSID0022303 | 3-(3,4-Dichlorophenoxy)benzaldehyde, 94% | D84610 | 98S99P2ILL | 3-(3,4-Dichlorophenoxy)benzaldehyde | 3-(3,4-Dichlorophenoxy)-benzaldehyde | SCHEMBL413263 | AKOS009158519 | J-510563

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O
• IUPAC Name: 3-(3,4-dichlorophenoxy)benzaldehyde
• InChIKey: ABQHJSHFFLAGHF-UHFFFAOYSA-N
• INCHI: 1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
• Isómeros SMILES: C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O
• WGK Alemania: 3
• Peso molecular: 267.11
• Reaxy-Rn: 7874404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7874404&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Dichlorobenzenes Benzoyl derivatives Benzaldehydes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Chlorobenzene - Aryl-aldehyde - Halobenzene - Aryl chloride - Aryl halide - Ether - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Peso molecular: 267.100 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 265.99 Da
• Monoisotopic Mass: 265.99 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 260.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79124-76-8, the molecular formula is Cl2C6H3OC6H4CHO, and the molecular weight is 267.11 g/mol. InChIKey ABQHJSHFFLAGHF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.