4-Hydroxybenzophenone - ≥98% , CAS No.1137-42-4

CAS: 1137-42-4 Cat. No.: H108575 Formule: C₁₃H₁₀O₂ Poids moléculaire: 198.22 Beilstein Registry Number: 777776 Numéro CE: 214-507-1

QUALITÉ & PURETÉ ≥98%

Synonyms

Benzophenone, 4-hydroxy- | Methanone, (4-hydroxyphenyl)phenyl- | 1-(4-Hydroxyphenyl)-1-phenylmethanone | AKOS000119744 | N-(4-Hydroxylphenyl)-N'-phenylurea | 4'-Hydroxybenzophenone | 4-Hydroxybenzophenone | 4-HYDROXY-BENZOPHENONE | NCGC00258781-01 | PD065

Storage

Argon charged,Room temperature

Shipped In

Normal

Spécifications

Synonymes

Benzophenone, 4-hydroxy- | Methanone, (4-hydroxyphenyl)phenyl- | 1-(4-Hydroxyphenyl)-1-phenylmethanone | AKOS000119744 | N-(4-Hydroxylphenyl)-N'-phenylurea | 4'-Hydroxybenzophenone | 4-Hydroxybenzophenone | 4-HYDROXY-BENZOPHENONE | NCGC00258781-01 | PD065

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181984

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181984

Sourires canoniques

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

IUPAC Name

(4-hydroxyphenyl)-phenylmethanone

InChIKey

NPFYZDNDJHZQKY-UHFFFAOYSA-N

INCHI

1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H

Isomères SMILES

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

WGK Allemagne

2

RTECS

PC4959775

Poids moléculaire

198.22

Beilstein

777776

Reaxy-Rn

777776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777776&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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: benzophenones

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

Cibles associées (humaines)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCF-STTG1 (114 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Leishmania amazonensis (3813 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: light & Moisture sensitive
• Point de fusion (°C): 132-135°C
• Poids moléculaire: 198.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• 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