4,4′-Dihydroxybenzophenone - ≥98% , CAS No.611-99-4

CAS: 611-99-4 Cat. No.: D110182 Molecular Weight: 214.22 Beilstein Registry Number: 1874572 EC Number: 210-288-1

GRADE & PURITY ≥98%

Synonyms

BRN 1874572 | Bis(4-hydroxy)benzophenone | DTXSID1022425 | NCGC00258104-01 | PD005603 | SR-01000393027-1 | 4,4'-dihydroxybenzophenon | 4,4'-Dihydroxydiphenyl ketone | Methanone, bis(4-hydroxyphenyl)- | 4,4'-Dihydroxybenzophenone, 99% | AI3-00127 | Benzoph

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

4,4'-Dihydroxybenzophenone is as a UV light stabilizer. It and its derivatives are found in cosmetics, plastics, films, adhesives and coatings, optical fiber, and printed circuit boards. It is the precursor to certain polycarbonate polymers.

Specifications

Synonyms

BRN 1874572 | Bis(4-hydroxy)benzophenone | DTXSID1022425 | NCGC00258104-01 | PD005603 | SR-01000393027-1 | 4, 4'-dihydroxybenzophenon | 4, 4'-Dihydroxydiphenyl ketone | Methanone, bis(4-hydroxyphenyl)- | 4, 4'-Dihydroxybenzophenone, 99% | AI3-00127 | Benzoph

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184240
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184240
• Canonical Smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
• IUPAC Name: bis(4-hydroxyphenyl)methanone
• InChIKey: RXNYJUSEXLAVNQ-UHFFFAOYSA-N
• INCHI: 1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
• Isomeric SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
• WGK Germany: 3
• RTECS: DJ0880000
• Molecular Weight: 214.22
• Beilstein: 1874572
• Reaxy-Rn: 1874572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874572&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mycolicibacterium smegmatis (8003 Activities)

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

Leishmania amazonensis (3813 Activities)

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

cyp130 Putative cytochrome P450 130 (3 Activities)

Discover Target: cyp130

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

cyp51 Lanosterol 14-alpha demethylase (36 Activities)

Discover Target: cyp51

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, insoluble in ether and ethanol.
• Melt Point(°C): 217-223°C
• Molecular Weight: 214.220 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.063 Da
• Monoisotopic Mass: 214.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 212.000
• 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

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