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| Other Sizes |
| Targets |
Not applicable. 5-Methyl-1H-benzotriazole is a corrosion inhibitor and a chemical intermediate, not a drug with a specific biological receptor target. Its primary mechanism of action is the formation of a chemisorbed protective layer on metal surfaces (copper, alloys) by binding to the metal via the triazole ring and the methyl group, preventing interaction with corrosive agents. It is not designed to interact with biological systems pharmacologically.
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| ln Vitro |
5-Methyl-1H-benzotriazole has been investigated for its antimicrobial activity. Research indicates that it exhibits significant efficacy against various pathogens. A study highlighted its effectiveness against both Gram-positive and Gram-negative bacteria, demonstrating a minimum inhibitory concentration (MIC) comparable to standard antibiotics like nitrofurantoin. This antimicrobial potential makes it a candidate for exploring its effects in pharmaceutical and agricultural contexts.
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| ln Vivo |
No specific in vivo data for therapeutic use is available, as this compound is not a drug. Its in vivo activity is primarily studied in the context of industrial ecology and toxicology. In agricultural studies, it is used as a potential nitrification inhibitor of urea fertilizer in soil, acting to slow the conversion of ammonium to nitrate. It is also used in wastewater treatment studies due to its persistence in aquatic environments.
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| Enzyme Assay |
Standard corrosion inhibition testing protocol. For evaluating 5-Methyl-1H-benzotriazole as a corrosion inhibitor for copper, electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) are used. A copper electrode is immersed in a sodium chloride (NaCl) solution (e.g., 3% w/v) containing varying concentrations (1-100 mM) of the compound. The corrosion rate is measured by the corrosion current density (Icorr). The inhibition efficiency (IE%) is calculated.
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| Cell Assay |
Standard antimicrobial susceptibility test (broth microdilution) for 5-Methyl-1H-benzotriazole. Bacterial pathogens (e.g., E. coli, S. aureus) are cultured in Mueller-Hinton broth (MHB). Serial dilutions of the test compound (1-500 ug/mL) are prepared in 96-well plates. A standardized bacterial inoculum is added to each well. After 18-24 hours of incubation at 37degC, the Minimum Inhibitory Concentration (MIC) is determined as the lowest concentration inhibiting visible bacterial growth. A comparable MIC to nitrofurantoin was reported.
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| Animal Protocol |
For acute aquatic toxicity studies in fish. A standard protocol (e.g., OECD 203) is used. Zebrafish (Danio rerio) or other test species are exposed to varying concentrations of 5-Methyl-1H-benzotriazole (e.g., 1-500 mg/L) in a flow-through system for 96 hours. Mortality is recorded at 24, 48, 72, and 96 hours. The LC50 (50% lethal concentration) is calculated. These tests are conducted to assess the environmental impact of this persistent compound in aquatic ecosystems.
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| ADME/Pharmacokinetics |
Not applicable. 5-Methyl-1H-benzotriazole is a chemical intermediate, not a drug candidate. As a small molecule (MW 133.15), it is readily soluble in organic solvents. It is absorbed in the gastrointestinal tract but is not used as a drug. PK studies are not relevant. It is persistent in aquatic environments, indicating it is not rapidly biodegradable. It is typically stored under standard laboratory conditions.
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| Toxicity/Toxicokinetics |
5-Methyl-1H-benzotriazole is a skin and eye irritant. It exhibits moderate toxicity to aquatic life, making it a concern in wastewater treatment. The compound is persistent in the environment and may cause long-term adverse effects in aquatic ecosystems. Standard safety precautions for handling organic chemicals (gloves, goggles, lab coat) are required. Avoid release to the environment. It is not intended for human or veterinary use.
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| References | |
| Additional Infomation |
5-Methyl-1H-benzotriazole is a type of benzotriazole compound, formed by the substitution of a methyl group at the 5-position of 1H-benzotriazole. It is an exogenous substance and environmental pollutant, as well as a corrosion inhibitor and water contaminant.
5-Methyl-1H-benzotriazole (CAS: 136-85-6) has a molecular formula of C7H7N3 and a molecular weight of 133.15. Its IUPAC name is 5-methyl-1H-benzotriazole. It is a white to off-white crystalline powder. It is used in life science research and as an analytical standard. It is effective in both acidic and saline aqueous solutions. It is also used as a starting material in the synthesis of other triazole derivatives for pharmaceutical development. For research use only. Each product in one row, fields tab-separated. |
| Molecular Formula |
C7H7N3
|
|---|---|
| Molecular Weight |
133.15
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| Exact Mass |
133.064
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| CAS # |
136-85-6
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| PubChem CID |
8705
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
360.6±11.0 °C at 760 mmHg
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| Melting Point |
80-82 °C(lit.)
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| Flash Point |
181.5±12.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.68
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| LogP |
1.8
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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 |
0
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| Heavy Atom Count |
10
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| Complexity |
126
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1=C2C([H])=C(C([H])([H])[H])C([H])=C([H])C2=NN1[H]
|
| InChi Key |
LRUDIIUSNGCQKF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
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| Chemical Name |
5-methyl-2H-benzotriazole
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| Synonyms |
5-Methylbenzotriazole
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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 | 7.5103 mL | 37.5516 mL | 75.1033 mL | |
| 5 mM | 1.5021 mL | 7.5103 mL | 15.0207 mL | |
| 10 mM | 0.7510 mL | 3.7552 mL | 7.5103 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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