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2-Benzoylbenzoic acid

CAS# 85-52-9

2-Benzoylbenzoic acid

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2-Benzoylbenzoic acid: 5mg $17 In Stock
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Chemical structure

2-Benzoylbenzoic acid

3D structure

Chemical Properties of 2-Benzoylbenzoic acid

Cas No. 85-52-9 SDF Download SDF
PubChem ID 6813 Appearance Powder
Formula C14H10O3 M.Wt 226
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name 2-benzoylbenzoic acid
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
Standard InChIKey FGTYTUFKXYPTML-UHFFFAOYSA-N
Standard InChI InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

2-Benzoylbenzoic acid Dilution Calculator

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2-Benzoylbenzoic acid Molarity Calculator

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Preparing Stock Solutions of 2-Benzoylbenzoic acid

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 4.4248 mL 22.1239 mL 44.2478 mL 88.4956 mL 110.6195 mL
5 mM 0.885 mL 4.4248 mL 8.8496 mL 17.6991 mL 22.1239 mL
10 mM 0.4425 mL 2.2124 mL 4.4248 mL 8.8496 mL 11.0619 mL
50 mM 0.0885 mL 0.4425 mL 0.885 mL 1.7699 mL 2.2124 mL
100 mM 0.0442 mL 0.2212 mL 0.4425 mL 0.885 mL 1.1062 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 2-Benzoylbenzoic acid

Photosensitizing properties of compounds related to benzophenone.[Pubmed:22983706]

Acta Derm Venereol. 2013 Jan;93(1):30-2.

Benzophenone is a phototoxic compound with absorption maxima in the ultraviolet A (UVA) and ultraviolet B (UVB) range. Many benzophenone derivatives are known to be photosensitizing. On the other hand, 2-hydroxy-4-methoxybenzophenone is used as a photoprotective agent. The aim of the present study was to analyse a range of benzophenone derivatives and thus examine the effects of molecular changes in the benzophenone molecule on phototoxic behaviour. Phototoxicity was tested by an in vitro photohaemolysis test. The tested compounds were benzophenone itself and the derivatives 2-hydroxybenzophenone, 2-aminobenzophenone, 2-Benzoylbenzoic acid, 3-hydroxybenzophenone, and 4-hydroxybenzo-phenone, as well as the structurally similar compounds 9-fluorenone, 9-fluorenone-2-carboxylic acid, cyclohexyl phenyl ketone, and 1,4-naphtho-quinone. It was shown that minor changes in molecular structure can result in highly different phototoxic characteristics.

[The electroluminescence of a novel complex Eu(o-BBA)3(phen)].[Pubmed:17020020]

Guang Pu Xue Yu Guang Pu Fen Xi. 2006 Jul;26(7):1199-202.

A novel rare earth complex of Eu ion with 2-Benzoylbenzoic acid and 1,10-phenathrolinephen (Eu(o-BBA)3 (phen)) was synthesized and used as a dopant to fabricate efficient electroluminescence(EL) devices. It was doped into poly(N-vinylcarbazole) (PVK) and spin coated into films. Devices using organic layer Alq3 (or inserted hole blocking layer BCP) and inorganic layer ZnS as electron transporting layer respectively were fabricated. The luminescence properties of the single-layer decvice A (ITO/PVK : Eu/Al) and the organic-inorganic heterostructure device were analyzed. It was found that the device using ZnS as the electron transporting layer has higher brightness and lower threshold voltage while maintains pure emission.

Exploring the ability of frozen-density embedding to model induced circular dichroism.[Pubmed:16836441]

J Phys Chem A. 2006 Jul 20;110(28):8786-96.

In this study, we present calculations of the circular dichroism (CD) spectra of complexes between achiral and chiral molecules. Nonzero rotational strengths for transitions of the nonchiral molecule are induced by interactions between the two molecules, which cause electronic and/or structural perturbations of the achiral molecule. We investigate if the chiral molecule (environment) can be represented only in terms of its frozen electron density, which is used to generate an effective embedding potential. The accuracy of these calculations is assessed in comparison to full supermolecular calculations. We can show that electronic effects arising from specific interactions between the two subsystems can reliably be modeled by the frozen-density representation of the chiral molecule. This is demonstrated for complexes of 2-Benzoylbenzoic acid with (-)-(R)-amphetamine and for a nonchiral, artificial amino acid receptor system consisting of ferrocenecarboxylic acid bound to a crown ether, for which a complex with l-leucine is studied. Especially in the latter case, where multiple binding sites and interactions between receptor and target molecule exist, the frozen-density results compare very well with the full supermolecular calculation. We also study systems in which a cyclodextrin cavity serves as a chiral host system for a small, achiral molecule. Problems arise in that case because of the importance of excitonic couplings with excitations in the host system. The frozen-density embedding cannot describe such couplings but can only capture the direct effect of the host electron density on the electronic structure of the guest. If couplings play a role, frozen-density embedding can at best only partially describe the induced circular dichroism. To illustrate this problem, we finally construct a case in which excitonic coupling effects are much stronger than direct interactions of the subsystem densities. The frozen density embedding is then completely unsuitable.

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