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3,6-Dichlorotrimellitic acid

Cat No.:V33073 Purity: ≥98%
3,6-Dichlorotrimellitic acid is a key precursor reagent for the preparation of a variety of dichlorofluorescein and rhodamine (like TET and HEX), which are extensively used for labeling oligonucleotides and DNA sequencing.
3,6-Dichlorotrimellitic acid
3,6-Dichlorotrimellitic acid Chemical Structure CAS No.: 137071-78-4
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
3,6-Dichlorotrimellitic acid is a key precursor reagent for the preparation of a variety of dichlorofluorescein and rhodamine (like TET and HEX), which are extensively used for labeling oligonucleotides and DNA sequencing. .
3,6-Dichlorotrimellitic acid (CAS 137071-78-4) is a key chemical precursor and intermediate used in the synthesis of various dichlorinated fluorescein and rhodamine dyes. Its molecular formula is C₉H₄Cl₂O₆ with a molecular weight of 279.03 g/mol. The compound is also known as 3,6-dichlorobenzene-1,2,4-tricarboxylic acid. It serves as the fundamental building block for the preparation of fluorescent labeling reagents such as TET and HEX, which are extensively used in oligonucleotide labeling and DNA sequencing applications. The compound is a carboxylic acid derivative with two chlorine substituents.
Biological Activity I Assay Protocols (From Reference)
Targets
3,6-Dichlorotrimellitic acid does not have a defined pharmacological target, as it is a chemical intermediate rather than a therapeutic agent. The compound is not designed to interact with biological receptors, enzymes, or ion channels. Its primary utility lies in organic synthesis, where it serves as a precursor for the preparation of fluorescent dyes and labeling reagents. Any biological activity associated with the compound would be incidental and related to its chemical reactivity as a carboxylic acid and chlorinated aromatic compound, rather than specific target engagement.
ln Vitro
In vitro activity of 3,6-dichlorotrimellitic acid has not been characterized in pharmacological or biological assays, as the compound is not intended for use as a bioactive molecule. It is a chemical intermediate used in organic synthesis rather than a drug candidate. No cytotoxicity, enzyme inhibition, or receptor binding data are available for this compound. The compound's chemical reactivity, particularly its carboxylic acid groups, may allow it to participate in non-specific interactions with biological molecules, but these are not relevant to its intended applications as a synthetic precursor.
ln Vivo
In vivo activity of 3,6-dichlorotrimellitic acid has not been characterized in animal models, as the compound is not intended for use as a therapeutic or bioactive agent. No animal studies have been conducted to evaluate its pharmacological effects, efficacy, or safety in vivo. The compound is a chemical intermediate used exclusively in laboratory synthesis applications. Any in vivo exposure would be incidental and not relevant to its intended use. The compound is not administered to animals for research purposes.
Enzyme Assay
In vitro enzyme/receptor binding assays are not applicable to 3,6-dichlorotrimellitic acid, as the compound is not a bioactive molecule designed to interact with biological targets. The compound is a chemical intermediate used in organic synthesis for the preparation of fluorescent dyes. No standard binding assays have been developed or performed for this compound. Any interaction with biological molecules would be non-specific and related to the compound's carboxylic acid groups or aromatic chlorine substituents, rather than targeted binding to a specific receptor or enzyme.
Cell Assay
In vitro cell-based assays are not applicable to 3,6-dichlorotrimellitic acid, as the compound is not a bioactive molecule intended for cell-based studies. The compound is a chemical intermediate used in organic synthesis. No cytotoxicity, proliferation, or signaling assays have been performed with this compound in cell culture systems. The compound is not used in cell biology research applications. Any cell-based studies would be unrelated to its intended use as a synthetic precursor for fluorescent dyes.
Animal Protocol
In vivo animal studies are not applicable to 3,6-dichlorotrimellitic acid, as the compound is not intended for use as a therapeutic or bioactive agent. No animal studies have been conducted to evaluate its pharmacokinetics, efficacy, or toxicology. The compound is a chemical intermediate used exclusively in laboratory synthesis. It is not administered to animals for research purposes. Any in vivo exposure would be incidental and not relevant to its intended applications as a precursor for fluorescent dyes.
ADME/Pharmacokinetics
Pharmacokinetic (PK) properties of 3,6-dichlorotrimellitic acid have not been characterized, as the compound is not a therapeutic agent. No absorption, distribution, metabolism, or excretion studies have been conducted. The compound is a chemical intermediate used in organic synthesis, and its PK properties are not relevant to its intended applications. As a small polar molecule with multiple carboxylic acid groups, the compound would be expected to have low oral bioavailability and limited membrane permeability, but these properties have not been experimentally determined.
Toxicity/Toxicokinetics
The toxicity profile of 3,6-dichlorotrimellitic acid has not been extensively characterized in preclinical studies, as the compound is not a therapeutic agent. As a chlorinated aromatic carboxylic acid, the compound may exhibit irritant properties and should be handled with appropriate safety precautions. No specific toxicology data, including acute toxicity, genotoxicity, or chronic toxicity studies, are available in the published literature. The compound is intended for research and synthesis applications only and is not approved for human use. Standard safety precautions for handling chlorinated aromatic compounds should be followed.
Additional Infomation
3,6-Dichlorotrimellitic acid is a research-grade chemical intermediate primarily used as a precursor for the synthesis of dichlorinated fluorescein and rhodamine dyes, including TET and HEX. These dyes are widely used for labeling oligonucleotides and in DNA sequencing applications. The compound is not an approved therapeutic drug and has no clinical applications. It is supplied as a solid powder and should be stored in a cool, dry place. Synonyms include 3,6-dichlorobenzene-1,2,4-tricarboxylic acid and 2,5-dichloro-1,3,4-benzenetricarboxylic acid. The compound is for research use only and not for human or veterinary use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H4CL2O6
Molecular Weight
279.0305
Exact Mass
277.938
CAS #
137071-78-4
PubChem CID
15923461
Appearance
White to off-white solid powder
LogP
2.088
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Heavy Atom Count
17
Complexity
357
Defined Atom Stereocenter Count
0
InChi Key
WFLALXNBVTWGKP-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H4Cl2O6/c10-3-1-2(7(12)13)6(11)5(9(16)17)4(3)8(14)15/h1H,(H,12,13)(H,14,15)(H,16,17)
Chemical Name
3,6-dichlorobenzene-1,2,4-tricarboxylic 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

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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 : ~250 mg/mL (~895.96 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.45 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 20.8 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: ≥ 2.08 mg/mL (7.45 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 20.8 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 3.5838 mL 17.9192 mL 35.8384 mL
5 mM 0.7168 mL 3.5838 mL 7.1677 mL
10 mM 0.3584 mL 1.7919 mL 3.5838 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:

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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?
  • 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:
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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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