Tetrakis(4-carboxylic acid phenyl)methane - ≥97% , CAS No.160248-28-2

CAS: 160248-28-2 Cat. No.: B299967 Molecular Weight: 496.47 EC Number: 878-919-9

GRADE & PURITY ≥97%

Synonyms

4-[tris(4-carboxyphenyl)methyl]benzoicacid | 4,4',4'',4'''-Methanetetrayltetrabenzoic acid | Benzoic acid, 4,4',4'',4'''-methanetetrayltetrakis- | STL557202 | SCHEMBL2176223 | tetrakis(4-carboxyphenyl)methane | EN300-263254 | T3896 | DTXSID40573400 | 4-[t

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

4-[tris(4-carboxyphenyl)methyl]benzoicacid | 4, 4', 4'', 4'''-Methanetetrayltetrabenzoic acid | Benzoic acid, 4, 4', 4'', 4'''-methanetetrayltetrakis- | STL557202 | SCHEMBL2176223 | tetrakis(4-carboxyphenyl)methane | EN300-263254 | T3896 | DTXSID40573400 | 4-[t

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198904
• Canonical Smiles: C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O
• IUPAC Name: 4-[tris(4-carboxyphenyl)methyl]benzoic acid
• InChIKey: VSFXBCHNPQPWBX-UHFFFAOYSA-N
• INCHI: 1S/C29H20O8/c30-25(31)17-1-9-21(10-2-17)29(22-11-3-18(4-12-22)26(32)33,23-13-5-19(6-14-23)27(34)35)24-15-7-20(8-16-24)28(36)37/h1-16H,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
• Isomeric SMILES: C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O
• Molecular Weight: 496.47
• Reaxy-Rn: 5319478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5319478&ln=

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: Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisabolane sesquiterpenoid - Sesquiterpenoid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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
• Molecular Weight: 496.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 496.116 Da
• Monoisotopic Mass: 496.116 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 694.000
• 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. Chen Wang, Shuhan Zhang, Fei Zeng, Congcong Huang, Zhengwei Liu, Haofei Ni, Chuanqi Zhao, Yujun Song, Jingsheng Niu.  (2025)  Neutrophil Extracellular Traps-Inspired Hydrogen-Bonded Organic Framework-Based Bio-orthogonal Nanozymes for Enhanced Bacterial Capture and Sterilization.  ACS Applied Materials & Interfaces,      [PMID:40785617] [10.1021/acsami.5c11332]