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

CAS: 1137-42-4 Cat. No.: H108575 분자식: C₁₃H₁₀O₂ 분자량: 198.22 Beilstein Registry Number: 777776 EC 번호: 214-507-1

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181984

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

PC4959775

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Leishmania amazonensis (3813 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: light & Moisture sensitive
• 녹는점(°C): 132-135°C
• 분자량: 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