2,4-Dicyanophenol - ≥98% , CAS No.34133-58-9

CAS: 34133-58-9 Cat. No.: H192844 Formula: C₈H₄N₂O Peso molecolare: 144.13

GRADE & PURITY ≥98%

Synonyms

4-HYDROXYBENZENE-1,3-DICARBONITRILE | A875094 | 4-HYDROXY-1,3-BENZENEDICARBONITRILE | MB10376 | DS-16692 | 4-hydroxyisophthalonitrile | CL9228 | AKOS015995506 | DTXSID50489568 | 4-Hydroxy-1,3-Benzenedicarbonitriles | FT-0734673 | QESYLFCJDFCRIT-UHFFFAOYSA

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

4-HYDROXYBENZENE-1,3-DICARBONITRILE | A875094 | 4-HYDROXY-1,3-BENZENEDICARBONITRILE | MB10376 | DS-16692 | 4-hydroxyisophthalonitrile | CL9228 | AKOS015995506 | DTXSID50489568 | 4-Hydroxy-1,3-Benzenedicarbonitriles | FT-0734673 | QESYLFCJDFCRIT-UHFFFAOYSA

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C=C1C#N)C#N)O
• IUPAC Name: 4-hydroxybenzene-1,3-dicarbonitrile
• InChIKey: QESYLFCJDFCRIT-UHFFFAOYSA-N
• INCHI: 1S/C8H4N2O/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,11H
• Isomeri SMILES: C1=CC(=C(C=C1C#N)C#N)O
• Peso molecolare: 144.13
• Reaxy-Rn: 2089505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: 144.130 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.032 Da
• Monoisotopic Mass: 144.032 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 231.000
• 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