3-Benzylphenol - ≥95% , CAS No.22272-48-6

CAS: 22272-48-6 Cat. No.: B192138 Peso molecular: 184.23

GRADE & PURITY ≥95%

Synonyms

AKOS006273484 | DS-10977 | FT-0648006 | JKFDELMIGLPLAX-UHFFFAOYSA-N | J-511767 | DTXSID80176818 | p-oxy-diphenylmethane | MFCD00036116 | 3-Benzylphenol | 3-Benzyl-phenol | A878630 | SCHEMBL1531575 | (m-Hydroxyphenyl)phenylmetane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006273484 | DS-10977 | FT-0648006 | JKFDELMIGLPLAX-UHFFFAOYSA-N | J-511767 | DTXSID80176818 | p-oxy-diphenylmethane | MFCD00036116 | 3-Benzylphenol | 3-Benzyl-phenol | A878630 | SCHEMBL1531575 | (m-Hydroxyphenyl)phenylmetane

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CC2=CC(=CC=C2)O
• IUPAC Name: 3-benzylphenol
• InChIKey: JKFDELMIGLPLAX-UHFFFAOYSA-N
• INCHI: 1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2
• Isómeros SMILES: C1=CC=C(C=C1)CC2=CC(=CC=C2)O
• Peso molecular: 184.23
• Reaxy-Rn: 2555595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2555595&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: Diphenylmethanes
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-4-unsubstituted benzenoid - 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 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: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 184.230 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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