4,4'-Dihydroxydiphenylmethane - ≥99%(GC) , CAS No.620-92-8

CAS: 620-92-8 Cat. No.: D135041 Fórmula: C₁₃H₁₂O₂ Peso molecular: 200.24 Beilstein Registry Number: 6995 Número CE: 210-658-2

GRADE & PURITY ≥99%(GC)

Synonyms

4,4'-Bis(hydroxyphenyl)methane | 4,4'-BIS-(HYDROXYPHENYL)METHANE | 4,4'-bisphenol F | 4,4-bisphenol F | bis(para-hydroxyphenyl)methane | BPF | Phenol, 4,4'-methylenedi- | 4,4'-Methylenebis[Phenol] | AE-562/40896944 | Bisphenol F 100 microg/mL in Acetonitr

Storage

Room temperature

Shipped In

Normal

Visão geral

4,4'-Dihydroxydiphenylmethane, is also used as a bisphenol derivative with antioxidant activities. Bisphenol F has been reported to exhibit estrogen agonistic properties. Bisphenol F is used to make epoxy resins and coatings for various applications, such as lacquers, varnishes, liners, adhesives, plastics, water pipes, dental sealants, and food packaging.

Specifications

Sinónimos

4,4'-Bis(hydroxyphenyl)methane | 4,4'-BIS-(HYDROXYPHENYL)METHANE | 4,4'-bisphenol F | 4,4-bisphenol F | bis(para-hydroxyphenyl)methane | BPF | Phenol, 4,4'-methylenedi- | 4,4'-Methylenebis[Phenol] | AE-562/40896944 | Bisphenol F 100 microg/mL in Acetonitr

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

• Pubchem Sid: 488181550
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181550
• Sorrisos canónicos: C1=CC(=CC=C1CC2=CC=C(C=C2)O)O
• IUPAC Name: 4-[(4-hydroxyphenyl)methyl]phenol
• InChIKey: PXKLMJQFEQBVLD-UHFFFAOYSA-N
• INCHI: 1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
• SMILES isoméricas: C1=CC(=CC=C1CC2=CC=C(C=C2)O)O
• WGK Alemanha: 2
• RTECS: SL9625000
• Peso molecular: 200.24
• Beilstein: 6995
• Reaxy-Rn: 2049425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049425&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: Diphenylmethanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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

Alvos associados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

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HeLa S3 (477 Activities)

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Alvos associados (não humanos)

Melatonin receptor 1B (19 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Phytophthora infestans (820 Activities)

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Rhizomucor miehei (120 Activities)

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Penicillium chrysogenum (1593 Activities)

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Candida albicans (78123 Activities)

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Paecilomyces variotii (130 Activities)

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COS-7 (515 Activities)

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Large T antigen (1457 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: It is soluble in ethanol, ether, chloroform, alkali; slightly soluble in DMSO, insoluble in carbon disulfide and water.
• Ponto de fusão (°C): 159-163°C
• Peso molecular: 200.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• 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