3-(4-Chlorophenoxy)benzaldehyde - ≥97% , CAS No.69770-20-3

CAS: 69770-20-3 Cat. No.: C469565 Fórmula: ClC₆H₄OC₆H₄CHO Peso molecular: 232.66

GRADE & PURITY ≥97%

Synonyms

5-[(4-Methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonylchloride | UNII-HPE7KQ7BL4 | DTXSID20220066 | A836639 | 3-(4-Chlorophenoxy)benzaldehyde # | SB85380 | HPE7KQ7BL4 | EINECS 274-108-3 | 3-(4-Chlorophenoxy)benzaldehyde, 97% | FT-0641254 | F78987

Storage

Room temperature

Visão geral

Description

3-(4-Chlorophenoxy)benzaldehyde has been investigated for anti-tumour activity.3-(4-Chlorophenoxy)benzaldehyde was used in the synthesis of fatty acid amide hydrolase inhibitors bearing spirocyclic diamine cores.

Specifications

Sinónimos

5-[(4-Methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonylchloride | UNII-HPE7KQ7BL4 | DTXSID20220066 | A836639 | 3-(4-Chlorophenoxy)benzaldehyde # | SB85380 | HPE7KQ7BL4 | EINECS 274-108-3 | 3-(4-Chlorophenoxy)benzaldehyde, 97% | FT-0641254 | F78987

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=O
• IUPAC Name: 3-(4-chlorophenoxy)benzaldehyde
• InChIKey: MYQFRCYBOOWGJQ-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H
• SMILES isoméricas: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=O
• Peso molecular: 232.66
• Reaxy-Rn: 4310989
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4310989&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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Miosture sensitive
• Índice de refração: n20/D 1.608 (lit.)
• Ponto de inflamação (°C): > 113.00 °C - closed cup
• Ponto de ebulição (°C): 125℃/0.1mmHg (lit.)
• Peso molecular: 232.660 g/mol
• XLogP3: 4.000
• 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: 224.000
• 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

Perguntas frequentes

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 room temperature.

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

The CAS Number is 69770-20-3, the molecular formula is C13H9ClO2, and the molecular weight is 232.66 g/mol. InChIKey MYQFRCYBOOWGJQ-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.