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2,3,5-Trichloropyridine

2,3,5-Trichloropyridine is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
2,3,5-Trichloropyridine
2,3,5-Trichloropyridine Chemical Structure CAS No.: 16063-70-0
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500g
Other Sizes
Official Supplier of:
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Product Description
2,3,5-Trichloropyridine is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
2,3,5-Trichloropyridine (CAS 16063-70-0) is a chlorinated pyridine derivative with molecular formula C₅H₂Cl₃N and molecular weight 182.44 g/mol. It is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. This compound serves as a crucial building block, and its derivatives are recognized for their herbicidal activity.
Biological Activity I Assay Protocols (From Reference)
Targets
2,3,5-Trichloropyridine derivatives are recognized for their herbicidal activity. The compound does not have a defined pharmacological target for therapeutic applications but serves as a building block for agrochemicals. As a chlorinated pyridine, it can be used in the synthesis of various biologically active compounds, including herbicides and pharmaceuticals.
ln Vitro
In vitro, 2,3,5-trichloropyridine is primarily used as a chemical reagent and synthetic intermediate. It serves as a crucial building block for the synthesis of various compounds. The compound's derivatives are recognized for their herbicidal activity, making it valuable for specific chemical synthesis and research applications. As a biochemical reagent, it is used in life science research.
ln Vivo
In vivo data for 2,3,5-trichloropyridine as a therapeutic agent are not available, as the compound is primarily a chemical intermediate and agrochemical building block. Its derivatives have herbicidal activity, but the compound itself is not intended for therapeutic administration. The compound's in vivo relevance is primarily in the context of agrochemical applications.
Enzyme Assay
For in vitro chemical synthesis, 2,3,5-trichloropyridine is used as a building block for the synthesis of herbicidal compounds and other derivatives. Standard protocols involve reacting the trichloropyridine with appropriate reagents to introduce various substituents through nucleophilic aromatic substitution or cross-coupling reactions. The compound's three chlorine atoms provide multiple handles for derivatization.
Cell Assay
For in vitro cell-based experiments, 2,3,5-trichloropyridine is not typically used directly in cell culture. It is a chemical intermediate used for organic synthesis and agrochemical research. The compound may be used in the synthesis of compounds that are subsequently tested in biological assays, but it is not added directly to cell cultures as a test compound.
Animal Protocol
In vivo animal studies for 2,3,5-trichloropyridine are not applicable for therapeutic purposes. The compound may be used in agrochemical studies to evaluate the herbicidal activity of its derivatives in plant models. Standard in vivo protocols in plant models involve application to plants and measurement of herbicidal effects.
ADME/Pharmacokinetics
Pharmacokinetic data for 2,3,5-trichloropyridine as a drug candidate are not available, as the compound is not intended for therapeutic administration. The compound has a molecular weight of 182.44 g/mol. As a chlorinated pyridine, it is expected to have moderate lipophilicity and may be subject to metabolic dechlorination. The compound is primarily used as a reagent rather than as a drug candidate.
Toxicity/Toxicokinetics
2,3,5-Trichloropyridine is a research chemical and should be handled with appropriate laboratory safety precautions. As a chlorinated compound, 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.
Additional Infomation
2,3,5-Trichloropyridine (CAS 16063-70-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a crucial building block for organic synthesis and agrochemical research. Its derivatives are recognized for their herbicidal activity. No clinical trials or approved therapeutic indications exist for this compound.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C5H2CL3N
Molecular Weight
182.44
Exact Mass
180.925
CAS #
16063-70-0
PubChem CID
27666
Appearance
White to light brown solid powder
Density
1.5±0.1 g/cm3
Boiling Point
215.7±35.0 °C at 760 mmHg
Melting Point
46-50 °C(lit.)
Flash Point
104.7±11.5 °C
Vapour Pressure
0.2±0.4 mmHg at 25°C
Index of Refraction
1.573
LogP
2.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
9
Complexity
98.2
Defined Atom Stereocenter Count
0
SMILES
C1=C(C=NC(=C1Cl)Cl)Cl
InChi Key
CNLIIAKAAMFCJG-UHFFFAOYSA-N
InChi Code
InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
Chemical Name
2,3,5-trichloropyridine
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: 100 mg/mL (548.13 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.70 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 (13.70 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.4813 mL 27.4063 mL 54.8125 mL
5 mM 1.0963 mL 5.4813 mL 10.9625 mL
10 mM 0.5481 mL 2.7406 mL 5.4813 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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