| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
4,5-Dichloroguaiacol is classified as a biochemical assay reagent. It does not have a specific biological target but is used as a chemical intermediate and research tool. It has antiseptic and antimicrobial properties. It can undergo various chemical reactions, including electrophilic substitution and nucleophilic reactions.
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|---|---|
| ln Vitro |
In vitro, 4,5-Dichloroguaiacol exhibits antimicrobial activity. It is the major component of chlorinated phenol. It is used as a chemical intermediate in organic synthesis. Detailed in vitro activity data, including IC50 values, are not reported.
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| ln Vivo |
In vivo, 4,5-Dichloroguaiacol has potential antimicrobial effects based on its in vitro activity. It may have environmental implications due to its presence in wastewater. Animal studies would be needed to confirm its in vivo efficacy and safety. It is not used as a therapeutic agent.
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| Enzyme Assay |
Cell-free assays for 4,5-Dichloroguaiacol: antimicrobial activity is assessed by agar diffusion or broth microdilution assays against bacterial and fungal strains. The compound is incubated with microorganisms, and growth inhibition is measured. MIC values are calculated. Chemical reactivity studies assess its electrophilic substitution and nucleophilic reaction properties.
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| Cell Assay |
Cellular assays for 4,5-Dichloroguaiacol: microbial cells or mammalian cells are treated with 4,5-Dichloroguaiacol at concentrations of 0.1-100 µM for 1-24 hours. Cell viability is measured. Antimicrobial effects are assessed by measuring microbial growth. Cytotoxicity is evaluated in mammalian cell lines by MTT assay.
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| Animal Protocol |
In vivo animal studies for 4,5-Dichloroguaiacol: animal models of infection would be used to evaluate antimicrobial efficacy. Animals are administered 4,5-Dichloroguaiacol orally or topically at doses of 10-50 mg/kg. Infection progression and microbial load are assessed. Toxicity and environmental impact studies are also conducted.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4,5-Dichloroguaiacol: as a small, lipophilic molecule (MW 193.03), it may have good oral bioavailability and tissue penetration. It is likely metabolized in the liver and excreted via the kidneys. Storage: powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
Toxicity of 4,5-Dichloroguaiacol: comprehensive toxicity data are limited. As a chlorinated phenolic compound, it may have toxic effects on microbial communities and potential toxicity to higher organisms. It is for research use only and not approved for clinical use.
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| References | |
| Additional Infomation |
4,5-Dichloroguaiacol is a research compound used as a chemical intermediate and biochemical assay reagent. It is the primary constituent of chlorinated phenol. It has antimicrobial and antiseptic properties. No clinical applications have been reported.
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| Molecular Formula |
C7H6CL2O2
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|---|---|
| Molecular Weight |
193.03
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| Exact Mass |
191.974
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| CAS # |
2460-49-3
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| PubChem CID |
17160
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
277.8±35.0 °C at 760 mmHg
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| Flash Point |
121.8±25.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.571
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| LogP |
3.25
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
132
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(Cl)=CC(O)=C(OC)C=1
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| InChi Key |
HAAFFTHBNFBVKY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3
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| Chemical Name |
4,5-dichloro-2-methoxyphenol
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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 |
| 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 | 5.1805 mL | 25.9027 mL | 51.8054 mL | |
| 5 mM | 1.0361 mL | 5.1805 mL | 10.3611 mL | |
| 10 mM | 0.5181 mL | 2.5903 mL | 5.1805 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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