4-[tris(4-formylphenyl)methyl]benzaldehyde - ≥98% , CAS No.617706-61-3

CAS: 617706-61-3 Cat. No.: T304160 Peso molecular: 432.467 PubChem CID: 12982199

GRADE & PURITY ≥98%

Synonyms

AC8057 | YSZC075 | Benzaldehyde, 4,4',4'',4'''-methanetetrayltetrakis- | A833412 | doi:10.14272/NKFUMXIARBFRPH-UHFFFAOYSA-N.1 | 4-[tris(4-methanoylphenyl)methyl]benzaldehyde | SY040629 | FT-0654540 | Tetrakis(4-formylphenyl)methane | MFCD12911658 | SCHEMB

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AC8057 | YSZC075 | Benzaldehyde, 4, 4', 4'', 4'''-methanetetrayltetrakis- | A833412 | doi:10.14272/NKFUMXIARBFRPH-UHFFFAOYSA-N.1 | 4-[tris(4-methanoylphenyl)methyl]benzaldehyde | SY040629 | FT-0654540 | Tetrakis(4-formylphenyl)methane | MFCD12911658 | SCHEMB

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C=O)C(C2=CC=C(C=C2)C=O)(C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
• IUPAC Name: 4-[tris(4-formylphenyl)methyl]benzaldehyde
• InChIKey: NKFUMXIARBFRPH-UHFFFAOYSA-N
• INCHI: 1S/C29H20O4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-20H
• Isómeros SMILES: C1=CC(=CC=C1C=O)C(C2=CC=C(C=C2)C=O)(C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
• PubChem CID: 12982199
• Peso molecular: 432.467

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisabolane sesquiterpenoid - Sesquiterpenoid - Benzoyl - Benzaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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 ebullición (°C): 634.9±55.0 °C(Predicted)
• Punto de fusión (°C): >180℃
• Peso molecular: 432.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 432.136 Da
• Monoisotopic Mass: 432.136 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 538.000
• 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. Jinjian Wei, Lengbing Chen, Rui Zhang, Yi Yu, Wenhua Ji, Zhaosheng Hou, Yuqin Chen, Zhide Zhang.  (2023)  An Imine-Based Porous 3D Covalent Organic Polymer as a New Sorbent for the Solid-Phase Extraction of Amphenicols from Water Sample.  MOLECULES,  28  (8): (3301).  [PMID:37110535] [10.3390/molecules28083301]