4,5-Diphenoxyphthalonitrile , CAS No.147699-63-6

CAS: 147699-63-6 Cat. No.: D1235528 Formula: C₂₀H₁₂N₂O₂ Peso molecolare: 312.3

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Specifications

Condizioni di conservazione di stoccaggio

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Spedito in

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Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=CC=C3
• IUPAC Name: 4,5-diphenoxybenzene-1,2-dicarbonitrile
• InChIKey: WLHHJDXXVXXPPI-UHFFFAOYSA-N
• INCHI: 1S/C20H12N2O2/c21-13-15-11-19(23-17-7-3-1-4-8-17)20(12-16(15)14-22)24-18-9-5-2-6-10-18/h1-12H
• Peso molecolare: 312.3

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 Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzonitrile - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 312.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.09 Da
• Monoisotopic Mass: 312.09 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 444.000
• 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

Domande frequenti

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 147699-63-6, the molecular formula is C20H12N2O2, and the molecular weight is 312.3 g/mol. InChIKey WLHHJDXXVXXPPI-UHFFFAOYSA-N.