4,4'-Dihydroxytetraphenylmethane - ≥98% , CAS No.1844-01-5

CAS: 1844-01-5 Cat. No.: D131813 Fórmula: C₂₅H₂₀O₂ Peso molecular: 352.43 Número CE: 679-999-6

GRADE & PURITY ≥98%

Synonyms

4-[(4-hydroxyphenyl)diphenylmethyl]phenol | 4-[(4-hydroxyphenyl)-diphenylmethyl]phenol | A812867 | AKOS001026411 | Bis(4-hydroxyphenyl)diphenylmethane | bis(4-hydroxyphenyl)-diphenylmethane | 4,4'-(diphenylmethylene)diphenol | AS-60922 | Z56778238 | FT-06

Storage

Room temperature

Shipped In

Normal

Visão geral

Bisphenol BP belongs to the class of bisphenols.

Specifications

Sinónimos

4-[(4-hydroxyphenyl)diphenylmethyl]phenol | 4-[(4-hydroxyphenyl)-diphenylmethyl]phenol | A812867 | AKOS001026411 | Bis(4-hydroxyphenyl)diphenylmethane | bis(4-hydroxyphenyl)-diphenylmethane | 4,4'-(diphenylmethylene)diphenol | AS-60922 | Z56778238 | FT-06

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488188838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188838
• Sorrisos canónicos: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
• IUPAC Name: 4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
• InChIKey: BATCUENAARTUKW-UHFFFAOYSA-N
• INCHI: 1S/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H
• SMILES isoméricas: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
• Peso molecular: 352.43
• Reaxy-Rn: 2059947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059947&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: This compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Peso molecular: 352.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 352.146 Da
• Monoisotopic Mass: 352.146 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 391.000
• 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

Referências

1. Sun Qianqian, Gao Chaohong, Ma Wende, He Yanting, Wu Jie, Luo Kailong, Ouyang Dan, Lin Zian, Cai Zongwei.  (2020)  High-throughput screening of bisphenols using magnetic covalent organic frameworks as a SELDI-TOF-MS probe.  MICROCHIMICA ACTA,  187  (7): (1-11).  [PMID:32504203] [10.1007/s00604-020-04340-5]

2. Jia-Wei Long, Li Chen, Bo-Wen Liu, Xiao-Hui Shi, Xue-Bao Lin, Ying-Ming Li, Yu-Zhong Wang.  (2020)  Tuning the Pendent Groups of Semiaromatic Polyamides toward High Performance.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.0c00578]