1-(4-Bromophenyl)-1,2,2-triphenylethylene - ≥98%(HPLC) , CAS No.34699-28-0

CAS: 34699-28-0 Cat. No.: B152924 Molecular Weight: 411.34 EC Number: 110-961-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID10647788 | TPE-Br | 1-[4-bromophenyl]-1,2,2-triphenylethene | MFCD20257904 | (2-(4-Bromophenyl)ethene-1,1,2-triyl)tribenzene | YSWG273 | Benzene, 1-?bromo-?4-?(1,?2,?2-?triphenylethenyl)?- | F19212 | 1-Bromo-4-(1,2,2-triphenylethenyl)benzene, 98% |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID10647788 | TPE-Br | 1-[4-bromophenyl]-1, 2, 2-triphenylethene | MFCD20257904 | (2-(4-Bromophenyl)ethene-1, 1, 2-triyl)tribenzene | YSWG273 | Benzene, 1-?bromo-?4-?(1, ?2, ?2-?triphenylethenyl)?- | F19212 | 1-Bromo-4-(1, 2, 2-triphenylethenyl)benzene, 98% |

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769892
• Canonical Smiles: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
• IUPAC Name: 1-bromo-4-(1,2,2-triphenylethenyl)benzene
• InChIKey: MYJLJYSALGARCM-UHFFFAOYSA-N
• INCHI: 1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H
• Isomeric SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
• Molecular Weight: 411.34
• Reaxy-Rn: 2565393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2565393&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: Diphenylmethanes Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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

• Solubility: Soluble in Toluene
• Sensitivity: air & light sensitive
• Melt Point(°C): 157-161℃
• Molecular Weight: 411.300 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 410.067 Da
• Monoisotopic Mass: 410.067 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 446.000
• 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

References

1. Rui Tian, Qi Yu, Li-Jun Mei, Feng-Yu Zhu, Qi Qin, Rongliang Ma, Ya-Long Wang, Chong Li, Ming-Qiang Zhu.  (2023)  Single-molecule multi-target fluorescent imaging for latent fingerprints based on aggregation-induced emission.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.134634]

2. Yanan Gao, Xinwen Zhang, Jie Song, Liwei Dou, Hong Gao, Shibin Shang, Zhanqian Song.  (2022)  Construction of biomass-based AIEgens with dehydroabietic acid triarylamine and tetraphenylethene Moieties for non-doped OLEDs.  TETRAHEDRON,      [PMID:] [10.1016/j.tet.2022.132922]

3. Ming Fang, Wenjuan Wei, Ruoxin Li, Liucheng Mao, Yuanheng Wang, Yan Guan, Qiang Chen, Zhigang Shuai, Yen Wei.  (2022)  The Variance of Photophysical Properties of Tetraphenylethene and Its Derivatives during Their Transitions from Dissolved States to Solid States.  Polymers,  14  (14): (2880).  [PMID:35890656] [10.3390/polym14142880]