5-chloro-2-hydroxybenzophenone

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Product Information

Molecular Formula:
C13H9ClO2
Molecular Weight:
232.66
Description
UV absorber
Synonyms
(5-chloro-2-hydroxyphenyl)phenyl-methanon; 2-benzoyl-4-chlorophenol; 3-chloro-6-hydroxybenzophenone; 5-chloro-2-hydroxy-benzophenon; benzophenone,5-chloro-2-hydroxy-; benzophenone-7; benzophenone-7,5-chloro-2-hydroxybenzophenone; chlorohydroxybenzophenone
IUPAC Name
(5-chloro-2-hydroxyphenyl)-phenylmethanone
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
InChI Key
OMWSZDODENFLSV-UHFFFAOYSA-N
Boiling Point
355.5ºC(lit.)
Melting Point
96-98ºC
Flash Point
235.4 °F
Purity
95%
Density
1.307 g/cm3
Solubility
In water, 52.3 mg/L at 25 °C (est)
Appearance
powder
Application
Used as light absorber.
Refractive Index
n20/D 1.479 (lit.)
Stability
Stable under recommended storage conditions.
LogP
log Kow = 4.09 (est)
Vapor Pressure
4.44X10-6 mm Hg at 25 °C (est)
Henry's Law Constant
1.89X10-7 atm-cu m/mol at 25 °C (est)
Odor
Nearly odorless

Computed Properties

XLogP3
3.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
232.0291072 g/mol
Monoisotopic Mass
232.0291072 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
248
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-114149769-A High-reflection black adhesive film and preparation method and application thereof 2021-12-29
CN-113968965-A Semi-aromatic polyamide and preparation method and application thereof 2021-12-01
CN-114149754-A Grid adhesive film and preparation method and application thereof 2021-11-30
CN-113930139-A Bottom coating composition for diffusion film and diffusion film thereof 2021-10-14
CN-113698564-A Sulfur-containing benzophenone polyurethane modified epoxy acrylate self-initiated UV resin 2021-08-05
CN-113717365-A Sulfur-containing benzophenone modified 3 rd generation dendritic self-initiation UV resin 2021-08-05
CN-113717366-A Hyperbranched self-initiated photocuring resin modified by sulfur-containing benzophenone 2021-08-05
CN-113717367-A Sulfur-containing benzophenone modified 2 nd-generation hyperbranched self-initiated UV resin 2021-08-05
CN-112411192-A Humidity-adjusting and ultraviolet-resistant fabric surface treating agent and preparation method and application thereof 2020-11-18
WO-2021257518-A1 Fluorosilicone polymers, compositions, and uses thereof 2020-06-15

Literatures

PMID Publication Date Title Journal
21578361 2009-10-17 (E,E)-4,4'-Dichloro-2,2'-[azinobis(phenyl-methyl-idyne)]diphenol Acta crystallographica. Section E, Structure reports online
17514970 2007-02-01 [Synthesis, characterization and fluorescence property of an unsymmetrical Schiff base and its copper complex] Guang pu xue yu guang pu fen xi = Guang pu
16497524 2006-11-01 Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Journal of molecular graphics & modelling
14532685 2003-10-01 5-chloro-2-hydroxybenzophenone, featuring O-H...O, C-H...O, C-H...pi and pi-pi interactions Acta crystallographica. Section C, Crystal structure communications
11266322 2001-02-01 Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay Environmental health perspectives
The molarity calculator equation

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

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The dilution calculator equation

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

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