| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| Other Sizes |
| Targets |
Chloronitromethane does not have a specific biological target in drug discovery; it is primarily a chemical reagent and environmental disinfection by-product. As a halonitromethane, it can exert genotoxic and cytotoxic effects through mechanisms involving DNA damage and oxidative stress, but it is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
As a halonitromethane disinfection by-product, chloronitromethane has demonstrated genotoxic and cytotoxic activity in vitro. It can cause DNA damage, induce oxidative stress, and produce reactive oxygen species in cells. These properties are undesirable for therapeutic use but relevant to its toxicological significance.
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| ln Vivo |
In vivo studies on chloronitromethane are limited, as it is not intended for therapeutic use. As a disinfection by-product, it has been studied for its potential adverse health effects, including carcinogenicity and reproductive toxicity. It is not used for pharmacological purposes in animal models.
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| Enzyme Assay |
Chloronitromethane is a chemical reagent and is not typically used in biological enzyme or receptor binding assays. For toxicological studies, standard protocols may include the Ames test for mutagenicity, comet assays for DNA damage, and bacterial reverse mutation assays. These are not drug-target interaction assays.
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| Cell Assay |
For toxicological studies, cell lines (e.g., Chinese hamster ovary cells, human lymphocytes) are treated with chloronitromethane (1-1000 uM) for 1-24 hours. DNA damage is assessed by the alkaline comet assay or micronucleus formation. Cytotoxicity is measured by MTT or trypan blue exclusion. These protocols are for hazard assessment, not efficacy screening.
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| Animal Protocol |
Animal studies on chloronitromethane are primarily toxicological. Rodent models are used for acute and subchronic toxicity testing. Animals are dosed orally, intraperitoneally, or via inhalation, and endpoints include mortality, body weight changes, organ weights, hematology, clinical chemistry, and histopathological examination of tissues.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for chloronitromethane as a drug. As a small, lipophilic molecule (logP ≈ 0.49), it is expected to be rapidly absorbed and distributed. For toxicological purposes, its metabolism may involve reduction of the nitro group or conjugation reactions, but detailed studies are not readily available.
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| Toxicity/Toxicokinetics |
Chloronitromethane is classified as a toxic compound. It is a disinfection by-product (DBP) with potential genotoxic and carcinogenic properties. As a halonitromethane, it can cause DNA damage and oxidative stress. Standard chemical safety precautions, including the use of appropriate personal protective equipment, must be followed when handling this compound.
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| References |
[1]. Bijit Kundu, et al. Mutagenicity in Salmonella of halonitromethanes: a recently recognized class of disinfection by-products in drinking water. Mutat Res. 2004 Aug 8;562(1-2):39-65.
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| Additional Infomation |
Chloronitromethane is a chemical reagent and analytical standard, not a pharmaceutical. It is used in organic synthesis and as a research reagent for applications in chemical biology and toxicology. It has not undergone clinical trials nor is it approved for therapeutic use. The compound is a constituent of disinfection by-products found in drinking water.
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| Molecular Formula |
CH2CLNO2
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|---|---|
| Molecular Weight |
95.49
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| Exact Mass |
94.977
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| CAS # |
1794-84-9
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| PubChem CID |
74529
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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 |
122.5±0.0 °C at 760 mmHg
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| Flash Point |
24.7±19.8 °C
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| Vapour Pressure |
13.9±0.2 mmHg at 25°C
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| Index of Refraction |
1.421
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| LogP |
0.49
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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 |
5
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| Complexity |
39.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(Cl)[N+](=O)[O-]
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| InChi Key |
CGKPGVZMSKVVOF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/CH2ClNO2/c2-1-3(4)5/h1H2
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| Chemical Name |
chloro(nitro)methane
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 10.4723 mL | 52.3615 mL | 104.7230 mL | |
| 5 mM | 2.0945 mL | 10.4723 mL | 20.9446 mL | |
| 10 mM | 1.0472 mL | 5.2362 mL | 10.4723 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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