4,4'-Dihydroxybenzophenone

Product Information

Molecular Formula:
C13H10O3
Molecular Weight:
214.22
Description
4,4'-Dihydroxybenzophenone (CAS# 611-99-4) is a compound useful in organic synthesis.
Synonyms
bis(4-hydroxyphenyl)methanone; bis(4-hydroxyphenyl)methanone
IUPAC Name
bis(4-hydroxyphenyl)methanone
Canonical SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
InChI
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
InChI Key
RXNYJUSEXLAVNQ-UHFFFAOYSA-N
Boiling Point
419-420 ℃ (lit.)
Melting Point
221 ℃
Flash Point
303.8 °F
Purity
> 98.0 % (GC) (T)
Density
1.1330 g/cm3
Appearance
White to light red to green powder to crystal
Storage
2-8 ℃
Refractive Index
1.5090 (estimate)
LogP
2.32880

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
214.062994177 g/mol
Monoisotopic Mass
214.062994177 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
212
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114149734-A Reflective heat-insulation polyurethane waterproof coating and preparation method thereof 2021-12-28
CN-113861638-A Preparation method of modified polyester and application of modified polyester in polyester film for dry film resist 2021-12-02
CN-114044870-A Polyurethane chain extender and preparation method thereof, and casting polyurethane elastomer and preparation method thereof 2021-12-02
CN-114030255-A Heat insulation board for cold chain system 2021-11-30
CN-113637153-A Multi-block polyether type high-molecular surfactant and preparation method and application thereof 2021-10-18
CN-113637154-A Nonionic polyether type high-molecular surfactant and preparation method and application thereof 2021-10-18
CN-113637155-A Anionic polyether type high-molecular surfactant and preparation method thereof 2021-10-18
CN-113912810-A Single-component aqueous polyurethane dispersion and preparation method thereof 2021-10-12
CN-113769592-A Quaternized modified polyarylether membrane material and preparation method and application thereof 2021-09-18
CN-113683495-A Method for preparing 4,4' -dihydroxy benzophenone 2021-09-16

Literatures

PMID Publication Date Title Journal
22487399 2012-08-15 Degradation of UV filters in sewage sludge and 4-MBC in liquid medium by the ligninolytic fungus Trametes versicolor Journal of environmental management
21701897 2011-12-01 Synthesis of hydroxyferrocifen and its abilities to protect DNA and to scavenge radicals Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
21530995 2011-08-01 Occurrence of multiclass UV filters in treated sewage sludge from wastewater treatment plants Chemosphere
21589049 2010-10-20 4-(4-Hydroxybenzoyl)phenol mono-hydrate Acta crystallographica. Section E, Structure reports online
19640715 2009-09-01 A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta Bioorganic & medicinal chemistry letters
18367444 2008-05-30 X-ray structure of 4,4'-dihydroxybenzophenone mimicking sterol substrate in the active site of sterol 14alpha-demethylase (CYP51) The Journal of biological chemistry
18088140 2008-01-18 Convenient one-pot synthesis of 2,2-bis-(4-hydroxyphenyl)-cyclopentanone The Journal of organic chemistry
18024680 2008-01-01 Degradation of Bis(4-Hydroxyphenyl)methane (bisphenol F) by Sphingobium yanoikuyae strain FM-2 isolated from river water Applied and environmental microbiology
17208445 2007-03-01 Synthesis and antimycobacterial evaluation of benzofurobenzopyran analogues Bioorganic & medicinal chemistry
16497524 2006-11-01 Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Journal of molecular graphics & modelling
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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