1,3,5-Tris(4-formylphenyl)benzene - ≥97% , CAS No.118688-53-2

CAS: 118688-53-2 Cat. No.: B299794 Peso molecular: 390.44 Número EC: 881-589-9

GRADE & PURITY ≥97%

Synonyms

SY247846 | T71620 | DTXSID50647202 | F1252 | SCHEMBL4096252 | 1,4-Di-(p-benzaldehydyl)-naphthalene;4-[3,5-Bis(4-Formylphenyl)Phenyl]Benzaldehyde | BCP29836 | AS-75745 | doi:10.14272/ZCJZVMNBJKPQEV-UHFFFAOYSA-N.1 | YSZC179 | 10.14272/ZCJZVMNBJKPQEV-UHFFFAO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SY247846 | T71620 | DTXSID50647202 | F1252 | SCHEMBL4096252 | 1, 4-Di-(p-benzaldehydyl)-naphthalene;4-[3, 5-Bis(4-Formylphenyl)Phenyl]Benzaldehyde | BCP29836 | AS-75745 | doi:10.14272/ZCJZVMNBJKPQEV-UHFFFAOYSA-N.1 | YSZC179 | 10.14272/ZCJZVMNBJKPQEV-UHFFFAO

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769806
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769806
• Sonrisas canónicas: C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
• IUPAC Name: 4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde
• InChIKey: ZCJZVMNBJKPQEV-UHFFFAOYSA-N
• INCHI: 1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H
• Isómeros SMILES: C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
• Peso molecular: 390.44
• Reaxy-Rn: 5981436
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5981436&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: Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 250 °C
• Peso molecular: 390.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 390.126 Da
• Monoisotopic Mass: 390.126 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 470.000
• 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

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2. Wang Yiying, Pang Yuehong, Yang Yan, Shen Xiaofang.  (2022)  Facile synthesis of recyclable magnetic covalent organic frameworks for adsorption of bisphenol A from aqueous solution.  JOURNAL OF POROUS MATERIALS,  29  (5): (1411-1421).  [PMID:] [10.1007/s10934-022-01266-6]

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