1,3,5-Tris(4-ethynylphenyl)benzene - ≥97% , CAS No.71866-86-9

CAS: 71866-86-9 Cat. No.: B300489 Peso molecular: 378.5 Número EC: 892-788-5

GRADE & PURITY ≥97%

Synonyms

BS-17403 | DTXSID00531521 | AKOS037649228 | 4,4''-Diethynyl-5'-(4-ethynylphenyl)-1,1':3',1''-terphenyl | 1,3,5-tris-(4-ethynylphenyl)benzene | 1,3,5-Tris(4-ethynylphenyl)benzene | 1,1':3',1''-Terphenyl, 4,4''-diethynyl-5'-(4-ethynylphenyl)- | MFCD00344835

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BS-17403 | DTXSID00531521 | AKOS037649228 | 4, 4''-Diethynyl-5'-(4-ethynylphenyl)-1, 1':3', 1''-terphenyl | 1, 3, 5-tris-(4-ethynylphenyl)benzene | 1, 3, 5-Tris(4-ethynylphenyl)benzene | 1, 1':3', 1''-Terphenyl, 4, 4''-diethynyl-5'-(4-ethynylphenyl)- | MFCD00344835

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767366
• Sonrisas canónicas: C#CC1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
• IUPAC Name: 1,3,5-tris(4-ethynylphenyl)benzene
• InChIKey: XJIJQOFZIULKCI-UHFFFAOYSA-N
• INCHI: 1S/C30H18/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h1-3,7-21H
• Isómeros SMILES: C#CC1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
• Peso molecular: 378.5
• Reaxy-Rn: 5969397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5969397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Peso molecular: 378.500 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 378.141 Da
• Monoisotopic Mass: 378.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 579.000
• 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

Referencias

1. Zichun Liu, Zhuang Hu, Wei Hu, Tao Ji, Zilin Chen.  (2024)  Etched stainless steel wire modified with conjugated microporous polymers-F6 for jacket-free stir bar sorptive extraction of benzoylureas in juice sample.  ANALYST,  149  (13): (3673-3680).  [PMID:38819227] [10.1039/D4AN00551A]

2. Nan Meng, Yu Zhang, Wei Liu, Qiaochu Chen, Nattakan Soykeabkaew, Yaozu Liao.  (2024)  Monolithic Conjugated Microporous Polymer Aerogel for Triboelectric Nanogenerator.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202313534]

3. Yu Zang, Yangyang Yu, Yanlin Chen, Minyi Fan, Jianjun Wang, Jiao Liu, Liang Xu, Hongge Jia, Shaobo Dong.  (2024)  Synthesis of conjugated microporous polymers rich in sulfonic acid groups for the highly efficient adsorption of Cs+.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149709]