4,4'-dicyanobenzophenone - ≥97% , CAS No.32446-66-5

CAS: 32446-66-5 Cat. No.: B300756 Fórmula: C₁₅H₈N₂O Peso molecular: 232.24 Número CE: 881-185-2

GRADE & PURITY ≥97%

Synonyms

SY256615 | AKOS005216818 | 4,4'-Carbonyldibenzonitrile (4,4'-Dicyanobenzophenone) | Benzonitrile, 4,4'-carbonylbis- | 4,4'-Dicyanobenzophenone | 4,4'-dicyano-benzophenone | Benzonitrile, 4,4'-carbonyldi- | LDF6VS0MD5 | 4,4'-CARBONYLDIBENZONITRILE | 4-(4-c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SY256615 | AKOS005216818 | 4,4'-Carbonyldibenzonitrile (4,4'-Dicyanobenzophenone) | Benzonitrile, 4,4'-carbonylbis- | 4,4'-Dicyanobenzophenone | 4,4'-dicyano-benzophenone | Benzonitrile, 4,4'-carbonyldi- | LDF6VS0MD5 | 4,4'-CARBONYLDIBENZONITRILE | 4-(4-c

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504765571
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765571
• Sorrisos canónicos: C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)C#N
• IUPAC Name: 4-(4-cyanobenzoyl)benzonitrile
• InChIKey: UKOXPTLWNQHMJV-UHFFFAOYSA-N
• INCHI: 1S/C15H8N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8H
• SMILES isoméricas: C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)C#N
• Peso molecular: 232.24
• Reaxy-Rn: 2111381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111381&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Benzonitriles Nitriles Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Aryl ketone - Benzoyl - Ketone - Nitrile - Carbonitrile - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Peso molecular: 232.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.064 Da
• Monoisotopic Mass: 232.064 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 357.000
• 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