4-Phenylphenol - analytical standard, for environmental analysis , CAS No.92-69-3

CAS: 92-69-3 Cat. No.: P100425 Formule: C₁₂H₁₀O Poids moléculaire: 170.21 Beilstein Registry Number: 1907452 Numéro CE: 202-179-2

GRADE & PURITY Analytical standard, for Environmental analysis

Synonyms

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1,1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4-Phenylphenol (4-hydroxybiphenyl, 4-HBP), a biaryl compound, is a weakly acidic 4-arylphenol. A study on its crystalline structure has been reported. Its rapid, green synthesis via a Pd(0)-catalyzed Suzuki cross-coupling reaction in water has been reported. The standard molar enthalpy of formation of 4-phenylphenol has been evaluated using combustion calorimetry. The solid-matrix luminescence properties for 4-phenylphenol adsorbed on filter paper has been investigated.A study conducted using the yeast two-hybrid assay suggests that it shows estrogenic activity

Specifications

Synonymes

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1,1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

Spécifications et pureté

analytical standard, for environmental analysis

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard, for Environmental analysis

Noms et identifiants

Pubchem Sid

528771472

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771472

Sourires canoniques

C1=CC=C(C=C1)C2=CC=C(C=C2)O

IUPAC Name

4-phenylphenol

InChIKey

YXVFYQXJAXKLAK-UHFFFAOYSA-N

INCHI

1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H

Isomères SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)O

WGK Allemagne

2

RTECS

DV5850000

Numéro ONU

2430

Poids moléculaire

170.21

Beilstein

1907452

Reaxy-Rn

1907452

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907452&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: hydroxybiphenyls

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.7 mg/ml at 20°C), ether, most common organic solvents, methanol, and chloroform.
• Point d'éclair (°F): 165℃
• Point d'éclair (°C): 165℃
• Point d'ébullition (°C): 321°C
• Point de fusion (°C): 164-166°C
• Poids moléculaire: 170.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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