4-Phenylphenol - ≥99% , CAS No.92-69-3

CAS: 92-69-3 Cat. No.: P100424 Formule: C₁₂H₁₀O Poids moléculaire: 170.21 Beilstein Registry Number: 1907452 Numéro CE: 202-179-2

GRADE & PURITY ≥99%

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

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

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488180287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180287
• 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: Insoluble in water; Degree of Solubility in water: 56.2 mg/l 20 °C; Very soluble in Ether,Alcohol,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