4-(4-Chlorophenoxy)benzonitrile - ≥98% , CAS No.74448-92-3

CAS: 74448-92-3 Cat. No.: C153685 Fórmula: C₁₃H₈ClNO Peso molecular: 229.66 Beilstein Registry Number: 10(3)346 Número CE: 680-191-0

GRADE & PURITY ≥98%

Synonyms

4-(4-chlorophenoxy)benzonitrile | DTXSID40458369 | MFCD08276330 | STL221275 | 4-Chloro-4'-cyanodiphenyl Ether | AKOS000222178 | C2007 | F16736 | SCHEMBL2259191

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(4-chlorophenoxy)benzonitrile | DTXSID40458369 | MFCD08276330 | STL221275 | 4-Chloro-4'-cyanodiphenyl Ether | AKOS000222178 | C2007 | F16736 | SCHEMBL2259191

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504766147
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766147
• Sorrisos canónicos: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenoxy)benzonitrile
• InChIKey: SOTAPBLDXLHNRZ-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
• SMILES isoméricas: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
• Peso molecular: 229.66
• Beilstein: 10(3)346
• Reaxy-Rn: 3286390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3286390&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 Benzonitriles Chlorobenzenes Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Benzonitrile - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - 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

• Solubilidade: Soluble in Methanol
• Ponto de ebulição (°C): 160°C/0.6mmHg
• Ponto de fusão (°C): 85 °C
• Peso molecular: 229.660 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.029 Da
• Monoisotopic Mass: 229.029 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 74448-92-3, the molecular formula is C13H8ClNO, and the molecular weight is 229.66 g/mol. InChIKey SOTAPBLDXLHNRZ-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.