| Size | Price | Stock | Qty |
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| 1g |
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| Other Sizes |
| Targets |
Bis(benzonitrile)palladium chloride does not have a defined pharmacological target. It is a palladium catalyst used in organic synthesis. Its mechanism of action is catalytic: the Pd(II) center participates in various catalytic cycles, including oxidative addition, transmetalation, and reductive elimination, enabling C-C and C-heteroatom bond formation. It is commonly used in Suzuki coupling, Wacker-type oxidations, and alkyne functionalizations.
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| ln Vitro |
In vitro, bis(benzonitrile)palladium chloride is used as a catalyst in various organic transformations. It is used for greener amine synthesis from terminal olefins by Wacker oxidation, followed by transfer hydrogenation of the resultant imine. It catalyzes the cyclization of δ-acetylenic carboxylic acids to butenolides, the aza-Michael reaction of carbamates with enones, and the rearrangement of allylic imidates to allylic amides. It is also a potent pre-catalyst for cross-coupling reactions.
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| ln Vivo |
In vivo activity data for bis(benzonitrile)palladium chloride are not available, as the compound is a catalyst used for in vitro organic synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
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| Enzyme Assay |
For in vitro catalytic reactions, bis(benzonitrile)palladium chloride is used as a catalyst or pre-catalyst. Standard protocols involve adding the compound to reaction mixtures at catalytic amounts (typically 1-10 mol%) in an appropriate solvent under controlled temperature and atmosphere. The compound's catalytic activity is evaluated by monitoring reaction progress by TLC or HPLC and isolating the product. It is used in Suzuki coupling reactions of aryl halides with boronic acids to form biaryl compounds.
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| Cell Assay |
For in vitro cell-based experiments, bis(benzonitrile)palladium chloride is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound due to potential toxicity from residual palladium.
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| Animal Protocol |
In vivo animal studies for bis(benzonitrile)palladium chloride are not applicable, as the compound is a catalyst used for organic synthesis. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for bis(benzonitrile)palladium chloride are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 383.57 g/mol. As a metal-containing compound, it would be expected to have limited oral bioavailability and potential toxicity from palladium. The compound is primarily used as a catalyst rather than as a drug candidate.
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| Toxicity/Toxicokinetics |
Bis(benzonitrile)palladium chloride is a research chemical and should be handled with appropriate laboratory safety precautions. As a palladium complex, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
Bis(benzonitrile)palladium chloride (CAS 14220-64-5) is primarily a research-grade catalyst, not an FDA-approved pharmaceutical drug. Its primary applications are as a catalyst for Suzuki coupling, Wacker-type oxidations, alkyne functionalizations, and other cross-coupling reactions. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C14H10CL2N2PD
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|---|---|
| Molecular Weight |
383.57
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| Exact Mass |
381.925
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| CAS # |
14220-64-5
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| PubChem CID |
498840
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| Appearance |
Light brown to yellow solid powder
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| Boiling Point |
191.1ºC at 760 mmHg
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| Melting Point |
131 °C(lit.)
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| Flash Point |
71.7ºC
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| Vapour Pressure |
0.524mmHg at 25°C
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| LogP |
4.495
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
19
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| Complexity |
106
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Cl-].[Cl-].[Pd++].N#CC1=CC=CC=C1.N#CC1=CC=CC=C1
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| InChi Key |
WXNOJTUTEXAZLD-UHFFFAOYSA-L
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| InChi Code |
InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
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| Chemical Name |
benzonitrile;dichloropalladium
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6071 mL | 13.0354 mL | 26.0709 mL | |
| 5 mM | 0.5214 mL | 2.6071 mL | 5.2142 mL | |
| 10 mM | 0.2607 mL | 1.3035 mL | 2.6071 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.
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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