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

CAS: 79124-76-8 Cat. No.: D466998 Formule: Cl₂C₆H₃OC₆H₄CHO Poids moléculaire: 267.11 Numéro CE: 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

Vue d’ensemble

Description

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

Specifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Poids moléculaire: 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

Foire aux questions

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.