(E/Z)-4,4'-Dicyanostilbene - ≥97% , CAS No.6292-62-2

CAS: 6292-62-2 Cat. No.: S770620 Summenformel: C₁₆H₁₀N₂ Molekulargewicht: 230.26 EG-Nummer: 228-548-8

QUALITÄT & REINHEIT ≥97%

Synonyms

Stilbene-4,4'-Dicarbonitrile | 4-[2-(4-Cyanophenyl)Ethenyl]Benzonitrile | 4-[(E)-2-(4-Cyanophenyl)Vinyl]Benzonitrile

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

Stilbene-4,4'-Dicarbonitrile | 4-[2-(4-Cyanophenyl)Ethenyl]Benzonitrile | 4-[(E)-2-(4-Cyanophenyl)Vinyl]Benzonitrile

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1C=CC2=CC=C(C=C2)C#N)C#N

IUPAC Name

4-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile

InChIKey

RNIZPDIBRXCMRD-OWOJBTEDSA-N

INCHI

1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1+

Isomere SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C#N)C#N

Alternative CAS-Nummer

6292-62-2

Molekulargewicht

230.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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: 230.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.084 Da
• Monoisotopic Mass: 230.084 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1