4-(4-Chlorophenoxy)-2-methylaniline , CAS No.946743-01-7

CAS: 946743-01-7 Cat. No.: C1320523 Summenformel: C₁₃H₁₂ClNO Molekulargewicht: 233.7 PubChem CID: 26190332

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)N
• IUPAC Name: 4-(4-chlorophenoxy)-2-methylaniline
• InChIKey: KYZMHOKELOMGHH-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
• Isomere SMILES: CC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)N
• PubChem CID: 26190332
• Molekulargewicht: 233.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Aminotoluenes Chlorobenzenes Aryl chlorides Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenol ether - Aniline or substituted anilines - Aminotoluene - Phenoxy compound - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 233.690 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.061 Da
• Monoisotopic Mass: 233.061 Da
• Topological Polar Surface Area: 35.300 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

Häufig gestellte Fragen

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 946743-01-7, the molecular formula is C13H12ClNO, and the molecular weight is 233.7 g/mol. InChIKey KYZMHOKELOMGHH-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.