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Benzophenonetetracarboxylic acid

Cat No.:V31230 Purity: ≥98%
Benzophenonetetracarboxylic acid (3,3',4,4'-Benzophenonetetracarboxylic acid) is particularly suitable for the preparation of high-performance polyimides and can also be used as a curing agent for epoxy resins.
Benzophenonetetracarboxylic acid
Benzophenonetetracarboxylic acid Chemical Structure CAS No.: 2479-49-4
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10mg
50mg
100mg
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Product Description
Benzophenonetetracarboxylic acid (3,3',4,4'-Benzophenonetetracarboxylic acid) is particularly suitable for the preparation of high-performance polyimides and can also be used as a curing agent for epoxy resins.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
The optical properties of benzophenone tetracarboxylic acid were investigated utilizing time-resolved chemically induced dynamic nuclear polarization and time-resolved laser flash photolysis on the aromatic amino acids histidine (His), tyrosine (Tyr), and tryptophan (Trp). Oxidation kinetics. Over a broad pH range, the quenching rate constant's pH dependence was observed. The impact of amino charge on the oxidation of aromatic amino acids is revealed by comparing the chemical reactivity of free His, Trp, and Tyr with that of their acetylated derivatives, N-AcHis, N-AcTyr, and N-AcTrp, towards the benzophenone tetracarboxylic acid triplet. The oxidation rate is therefore found to be greatly altered by the presence of charged amino groups; that is, His containing a positively charged amino group quenches benzophenone tetracarboxylic acid triads five times more effectively than N-AcHis and His containing neutral amino groups. Compared to Tyr and Trp with neutral amino groups (N-AcTyr and N-AcTrp), the quenching reaction efficiency between benzophenone tetracarboxylic acid triplet and Tyr and Trp with positively charged amino groups is approximately three times higher [2].
References

[1]. Process for the preparation of 3,3',4,4'-biphenyltetracarboxylic acid and its derivatives. Jan. 14, 1992. US5081281A.

[2]. Effect of amino group charge on the photooxidation kinetics of aromatic amino acids. J Phys Chem A. 2014 Jan 16;118(2):339-49.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C17H10O9
Molecular Weight
358.2559
Exact Mass
358.032
CAS #
2479-49-4
Related CAS #
56585-48-9 (tetra-potassium salt);68123-44-4 (magnesium[2:1]salt);68123-48-8 (tetra-hydrochloride salt);68226-90-4 (tri-potassium salt);68226-91-5 (tri-hydrochloride salt)
PubChem CID
75592
Appearance
White to off-white solid powder
Density
1.6±0.1 g/cm3
Boiling Point
734.0±60.0 °C at 760 mmHg
Flash Point
411.7±29.4 °C
Vapour Pressure
0.0±2.5 mmHg at 25°C
Index of Refraction
1.696
LogP
1.77
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
6
Heavy Atom Count
26
Complexity
574
Defined Atom Stereocenter Count
0
SMILES
O=C(C1C([H])=C([H])C(C(=O)O[H])=C(C(=O)O[H])C=1[H])C1C([H])=C([H])C(C(=O)O[H])=C(C(=O)O[H])C=1[H]
InChi Key
UITKHKNFVCYWNG-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
Chemical Name
4-(3,4-dicarboxybenzoyl)phthalic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~50 mg/mL (~139.56 mM)
H2O : ~10 mg/mL (~27.91 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (6.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (6.98 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


Solubility in Formulation 4: 5 mg/mL (13.96 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7913 mL 13.9563 mL 27.9127 mL
5 mM 0.5583 mL 2.7913 mL 5.5825 mL
10 mM 0.2791 mL 1.3956 mL 2.7913 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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