1,4-Bis(4-methylstyryl)benzene - ≥98%(HPLC) , CAS No.76439-00-4

CAS: 76439-00-4 Cat. No.: B152901 Formula: C₂₄H₂₂ Peso molecolare: 310.44

GRADE & PURITY ≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

488195686

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195686

Sorrisi canonici

CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC3=CC=C(C=C3)C

IUPAC Name

1,4-bis[(E)-2-(4-methylphenyl)ethenyl]benzene

InChIKey

BCASZEAAHJEDAL-PHEQNACWSA-N

INCHI

1S/C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3/b13-11+,14-12+

Isomeri SMILES

CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C

Peso molecolare

310.44

Reaxy-Rn

2560539

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2560539&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 310.400 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 310.172 Da
• Monoisotopic Mass: 310.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 76439-00-4, the molecular formula is C24H22, and the molecular weight is 310.44 g/mol. InChIKey BCASZEAAHJEDAL-PHEQNACWSA-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.