4-(4-Chlorophenoxy)benzaldehyde - ≥98%(GC) , CAS No.61343-99-5

CAS: 61343-99-5 Cat. No.: C154050 Formule: C₁₃H₉ClO₂ Poids moléculaire: 232.66 Numéro CE: 625-325-0

GRADE & PURITY ≥98%(GC)

Synonyms

4-(4-Chlorophenoxy)benzaldehyde, 97% | FT-0640748 | A833176 | BLCXBCYVCDPFEU-UHFFFAOYSA- | 4-Chloro-4'-formyldiphenyl Ether | AKOS000260170 | AR1934 | DTXSID20397323 | C2006 | SCHEMBL2267829 | SY049529 | BLCXBCYVCDPFEU-UHFFFAOYSA-N | InChI=1/C13H9ClO2/c14

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

4-(4-Chlorophenoxy)benzaldehyde, 97% | FT-0640748 | A833176 | BLCXBCYVCDPFEU-UHFFFAOYSA- | 4-Chloro-4'-formyldiphenyl Ether | AKOS000260170 | AR1934 | DTXSID20397323 | C2006 | SCHEMBL2267829 | SY049529 | BLCXBCYVCDPFEU-UHFFFAOYSA-N | InChI=1/C13H9ClO2/c14

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504762766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762766
• Sourires canoniques: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenoxy)benzaldehyde
• InChIKey: BLCXBCYVCDPFEU-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
• Isomères SMILES: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Cl
• WGK Allemagne: 2
• Poids moléculaire: 232.66
• Reaxy-Rn: 4248658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4248658&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 Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Toluene
• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 181°C/2.5mmHg
• Point de fusion (°C): 54-58°C
• Poids moléculaire: 232.660 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.029 Da
• Monoisotopic Mass: 232.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 216.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 61343-99-5, the molecular formula is C13H9ClO2, and the molecular weight is 232.66 g/mol. InChIKey BLCXBCYVCDPFEU-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.