1,4-Bis(2-methylstyryl)benzene - BioReagent, for Scintillation, ≥98% , CAS No.13280-61-0

CAS: 13280-61-0 Cat. No.: B755398 Molecular Weight: 310.43 Beilstein Registry Number: 2375845 EC Number: 236-285-5

GRADE & PURITY BioReagent, for Scintillation, ≥98%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Absolute fluorescence emission in cyclohexane (max): 420nm. Utilized as a scintillator reagent.

Specifications

Specifications & Purity

BioReagent, for Scintillation, ≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

BioReagent, for Scintillation

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1C=CC2=CC=C(C=C2)C=CC3=CC=CC=C3C
• IUPAC Name: 1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
• InChIKey: QKLPIYTUUFFRLV-YTEMWHBBSA-N
• INCHI: 1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3/b17-15+,18-16+
• Isomeric SMILES: CC1=CC=CC=C1/C=C/C2=CC=C(C=C2)/C=C/C3=CC=CC=C3C
• WGK Germany: 3
• Molecular Weight: 310.43
• Beilstein: 2375845
• Reaxy-Rn: 2274913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2274913&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Air sensitive
• Melt Point(°C): 179°C
• Molecular Weight: 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: 370.000
• 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