4,4',4'',4'''-Methanetetrayltetraphenol - ≥95% , CAS No.53184-78-4

CAS: 53184-78-4 Cat. No.: M404712 Peso molecular: 384.43 Número EC: 878-755-8

GRADE & PURITY ≥95%

Synonyms

4,4',4'',4'''-Methanetetrayltetraphenol | DTXSID30514327 | F76893 | M3104 | BOCLKUCIZOXUEY-UHFFFAOYSA-N | SCHEMBL237273 | 4-[tris(4-hydroxyphenyl)methyl]phenol | Phenol, 4,4',4'',4'''-methanetetrayltetrakis- | BS-51826 | tetra-(4-hydroxyphenyl)methane | t

Storage

Room temperature

Specifications

Sinónimos

4, 4', 4'', 4'''-Methanetetrayltetraphenol | DTXSID30514327 | F76893 | M3104 | BOCLKUCIZOXUEY-UHFFFAOYSA-N | SCHEMBL237273 | 4-[tris(4-hydroxyphenyl)methyl]phenol | Phenol, 4, 4', 4'', 4'''-methanetetrayltetrakis- | BS-51826 | tetra-(4-hydroxyphenyl)methane | t

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198313
• Sonrisas canónicas: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
• IUPAC Name: 4-[tris(4-hydroxyphenyl)methyl]phenol
• InChIKey: BOCLKUCIZOXUEY-UHFFFAOYSA-N
• INCHI: 1S/C25H20O4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16,26-29H
• Isómeros SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
• Peso molecular: 384.43
• Reaxy-Rn: 2012079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2012079&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphenols
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bisphenols. These are organic compounds containing two hydroxyphenyl group based on a diphenylmethane backbone.
• 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

• Punto de fusión (°C): 294 °C
• Peso molecular: 384.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 384.136 Da
• Monoisotopic Mass: 384.136 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 397.000
• 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