4-Methylstilbene - ≥98% , CAS No.4714-21-0

CAS: 4714-21-0 Cat. No.: M158031 Fórmula: C₁₅H₁₄ Peso molecular: 194.28 Beilstein Registry Number: 5(2)554

GRADE & PURITY ≥98%

Synonyms

4-Methylstilbene | NSC167098 | NSC-167098 | 1-methyl-4-[(E)-2-phenylethenyl]benzene | (E)-1-Methyl-4-styrylbenzene | 1-methyl-4-[(1E)-2-phenylethenyl]benzene | MFCD00452726 | AC-20795 | 1-Methyl-4-styrylbenzene | AKOS002792502 | 1-methyl-4-((e)-styryl)ben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Methylstilbene | NSC167098 | NSC-167098 | 1-methyl-4-[(E)-2-phenylethenyl]benzene | (E)-1-Methyl-4-styrylbenzene | 1-methyl-4-[(1E)-2-phenylethenyl]benzene | MFCD00452726 | AC-20795 | 1-Methyl-4-styrylbenzene | AKOS002792502 | 1-methyl-4-((e)-styryl)ben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195327
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195327
• Sonrisas canónicas: CC1=CC=C(C=C1)C=CC2=CC=CC=C2
• IUPAC Name: 1-methyl-4-[(E)-2-phenylethenyl]benzene
• InChIKey: MDRVHDXASYPUCB-VAWYXSNFSA-N
• INCHI: 1S/C15H14/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
• Isómeros SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• Peso molecular: 194.28
• Beilstein: 5(2)554
• Reaxy-Rn: 2041158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041158&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Toluenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Toluene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 120 °C
• Peso molecular: 194.270 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 194.11 Da
• Monoisotopic Mass: 194.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 4714-21-0, the molecular formula is C15H14, and the molecular weight is 194.28 g/mol. InChIKey MDRVHDXASYPUCB-VAWYXSNFSA-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.