Benzyl 2-Hydroxyphenyl Ketone - ≥97% , CAS No.2491-31-8

CAS: 2491-31-8 Cat. No.: B152116 Peso molecular: 212.25 Número EC: 811-798-2

GRADE & PURITY ≥97%

Synonyms

BENZYL 2-HYDROXYPHENYL KETONE | Ethanone, 1-(2-hydroxyphenyl)-2-phenyl- | SY050988 | DTXSID70179616 | SCHEMBL8376 | MFCD00218589 | 2'-Hydroxy-2-phenylacetophenone, AldrichCPR | 1-(2-Hydroxyphenyl)-2-phenylethan-1-one | Acetophenone, 2'-hydroxy-2-phenyl-,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BENZYL 2-HYDROXYPHENYL KETONE | Ethanone, 1-(2-hydroxyphenyl)-2-phenyl- | SY050988 | DTXSID70179616 | SCHEMBL8376 | MFCD00218589 | 2'-Hydroxy-2-phenylacetophenone, AldrichCPR | 1-(2-Hydroxyphenyl)-2-phenylethan-1-one | Acetophenone, 2'-hydroxy-2-phenyl-,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488187957
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187957
• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2O
• IUPAC Name: 1-(2-hydroxyphenyl)-2-phenylethanone
• InChIKey: VGHVJQXWDXRTRJ-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2O
• Peso molecular: 212.25
• Reaxy-Rn: 1957193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1957193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 165°C/23mmHg(lit.)
• Punto de fusión (°C): 57 °C
• Peso molecular: 212.240 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 231.000
• 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