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| Other Sizes |
| Targets |
2-Bromo-4-fluorophenol does not have a defined biological target as a therapeutic agent. It is a chemical building block used in organic synthesis and drug discovery. The compound may be used in the synthesis of various bioactive molecules, including pharmaceuticals and agrochemicals, where its biological activity would be determined by the final molecules into which it is incorporated. It is not characterized for direct pharmacological effects on any specific receptor or enzyme.
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| ln Vitro |
Specific in vitro activity data for 2-Bromo-4-fluorophenol as a pharmacological agent are not documented in the literature, as it is primarily used as a chemical intermediate. Its derivatives may exhibit various biological activities depending on their specific structures and functionalization. However, the parent compound itself is not characterized for direct biological effects such as enzyme inhibition, receptor modulation, or antimicrobial activity. It is strictly a synthetic building block.
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| ln Vivo |
2-Bromo-4-fluorophenol is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as a chemical building block in organic synthesis and medicinal chemistry research. The compound is not intended to be administered to animals for pharmacological or toxicological studies. Its derivatives, which are synthesized from this building block, may be evaluated in vivo depending on their therapeutic targets.
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| Enzyme Assay |
As a chemical building block, 2-Bromo-4-fluorophenol is not used in enzyme/receptor binding assays. Its role is in the synthesis of compounds that may be evaluated in such assays. When used in research, it serves as a starting material for the preparation of various halogenated aromatic compounds through cross-coupling and functionalization reactions. Standard synthetic chemistry protocols are employed for its use, rather than biochemical assay procedures.
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| Cell Assay |
2-Bromo-4-fluorophenol is not used in cell-based assays as a test compound. Its primary application is as a chemical building block for the synthesis of more complex molecules. The compound's derivatives may be evaluated in cell-based assays for various biological activities, but the parent compound itself is not characterized for direct cellular effects, cytotoxicity, or any pharmacological activity.
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| Animal Protocol |
2-Bromo-4-fluorophenol is not used in animal studies as a pharmacological agent. Its primary application is as a chemical building block in organic synthesis and medicinal chemistry. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives may be evaluated in animal models depending on their therapeutic targets, but the parent compound itself has no in vivo pharmacological profile.
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| ADME/Pharmacokinetics |
2-Bromo-4-fluorophenol has a molecular weight of 191.00 g/mol and a molecular formula of C₆H₄BrFO. It is a white to light yellow crystalline solid. The compound is used as a building block in organic synthesis and medicinal chemistry. It is typically stored under standard laboratory conditions at room temperature, protected from moisture and light. It is soluble in organic solvents such as ethanol, methanol, and dichloromethane.
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| Toxicity/Toxicokinetics |
2-Bromo-4-fluorophenol is intended for research use only and is not approved for human therapeutic applications. As a chemical building block, comprehensive toxicological data are not available in the publicly accessible literature. The compound may cause skin, eye, and respiratory tract irritation upon exposure. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
2-Bromo-4-fluorophenol (CAS#: 496-69-5) has a molecular formula of C₆H₄BrFO and a molecular weight of 191.00 g/mol. It is a halogenated phenol used as a building block in organic synthesis and medicinal chemistry for the preparation of pharmaceuticals and agrochemicals. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C6H4BRFO
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|---|---|
| Molecular Weight |
191.00
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| Exact Mass |
189.942
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| CAS # |
496-69-5
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| PubChem CID |
605472
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| Appearance |
Off-white to pale purple solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
260.6±0.0 °C at 760 mmHg
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| Melting Point |
43-45 °C(lit.)
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| Flash Point |
85.0±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.576
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| LogP |
2.75
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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 |
9
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| Complexity |
99.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1F)Br)O
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| InChi Key |
MEYRABVEYCFHHB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
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| Chemical Name |
2-bromo-4-fluorophenol
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 5.2356 mL | 26.1780 mL | 52.3560 mL | |
| 5 mM | 1.0471 mL | 5.2356 mL | 10.4712 mL | |
| 10 mM | 0.5236 mL | 2.6178 mL | 5.2356 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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