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

CAS: 617706-61-3 Cat. No.: T304160 Molecular Weight: 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

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

Specifications & Purity

≥98%

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%

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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
• Molecular Weight: 432.467

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Boil Point(°C): 634.9±55.0 °C(Predicted)
• Melt Point(°C): >180℃
• Molecular Weight: 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

References

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]