(4-Hydroxy-3-methylphenyl)(phenyl)methanone - ≥97% , CAS No.5326-42-1

CAS: 5326-42-1 Cat. No.: H589382 Peso molecular: 212.24

GRADE & PURITY ≥97%

Synonyms

EN300-1276718 | BS-52227 | p-Benzoyl-o-kresol | STL477980 | 4-benzoyl-2-methylphenol | DTXSID40967825 | F77867 | NSC297 | NSC-297 | 3-methyl-4-hydroxybenzophenone | Methanone, (4-hydroxy-3-methylphenyl)phenyl- | Q63399820 | Oprea1_461435 | (4-Hydroxy-3-me

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

4-Hydroxy-3-methyl-benzophenone can be used as pesticides and pest controlling methods.

Specifications

Sinónimos

EN300-1276718 | BS-52227 | p-Benzoyl-o-kresol | STL477980 | 4-benzoyl-2-methylphenol | DTXSID40967825 | F77867 | NSC297 | NSC-297 | 3-methyl-4-hydroxybenzophenone | Methanone, (4-hydroxy-3-methylphenyl)phenyl- | Q63399820 | Oprea1_461435 | (4-Hydroxy-3-me

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O
• IUPAC Name: (4-hydroxy-3-methylphenyl)-phenylmethanone
• InChIKey: UDGHTNPEJPFNIP-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
• Isómeros SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O
• Número NSC: NSC Number': ['297
• Peso molecular: 212.24
• Reaxy-Rn: 2100421
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100421&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - O-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to 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

Propiedades químicas y físicas

• Punto de fusión (°C): 172 - 174°C
• Peso molecular: 212.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 243.000
• 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