4-ヒドロキシベンゾフェノン - ≥98% , CAS No.1137-42-4

CAS: 1137-42-4 Cat. No.: H108575 分子式: C₁₃H₁₀O₂ 分子量: 198.22 Beilstein Registry Number: 777776 EC番号: 214-507-1

グレード＆純度 ≥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

ノーマル

仕様

同義語

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

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488181984

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

PC4959775

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Leishmania amazonensis (3813 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 感度: light & Moisture sensitive
• 融点（°C）: 132-135°C
• 分子量: 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