| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
Pentafluorophenol does not have a defined pharmacological target. It is a chemical reagent used primarily in organic synthesis and peptide chemistry. Its mechanism of action is chemical: the pentafluorinated benzene ring creates a highly electron-deficient environment that makes the phenolic oxygen an excellent leaving group, facilitating the formation of reactive esters (pentafluorophenyl esters) used in peptide coupling reactions.
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| ln Vitro |
Pentafluorophenyl esters, which are utilized in the vulcanized polymer and peptide synthesis processes, are made from pentafluorophenol. Peptide coupling and heterocyclic acid derivatives are two further uses for it. took part in the amine and amino acid formulation process for pentafluorobenzoate.
In vitro, pentafluorophenol is used as a reagent for the preparation of pentafluorophenyl active esters, which promote peptide bond formation. It is employed in peptide synthesis to activate carboxylic acids, enabling efficient coupling with amines to form amide bonds. The compound is also used as a surfactant and emulsifier in various industrial processes, including electronics manufacturing and coatings. Its applications extend to the synthesis of pharmaceuticals, agrochemicals, and liquid crystal materials. |
| ln Vivo |
In vivo activity data for pentafluorophenol are not available, as the compound is a chemical reagent used for in vitro synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use and is primarily used as a reagent in organic synthesis and peptide chemistry.
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| Enzyme Assay |
For in vitro chemical synthesis, pentafluorophenol is used as a reagent for the preparation of reactive esters. Standard protocols involve reacting pentafluorophenol with a carboxylic acid in the presence of a carbodiimide coupling reagent (e.g., DCC, EDC) to form the corresponding pentafluorophenyl ester. The reaction is typically carried out in an anhydrous solvent (e.g., DCM, DMF) at room temperature or under cooling. The resulting active ester can then be isolated and used for peptide coupling reactions with amines.
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| Cell Assay |
For in vitro cell-based experiments, pentafluorophenol is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and peptide chemistry. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound due to its reactivity and potential toxicity.
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| Animal Protocol |
In vivo animal studies for pentafluorophenol are not applicable, as the compound is a chemical reagent used for organic synthesis. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans. The compound's primary applications are in chemical synthesis rather than biomedical research.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for pentafluorophenol are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 184.06 g/mol and a melting point of 34-37°C. As a highly fluorinated phenolic compound, it would be expected to have limited water solubility and potential for bioaccumulation. The compound is primarily used as a reagent rather than as a drug candidate.
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| Toxicity/Toxicokinetics |
Pentafluorophenol is classified as a hazardous substance. It is toxic and may cause severe burns and eye damage. The compound is harmful if swallowed, inhaled, or absorbed through the skin. It should be handled with appropriate safety precautions including the use of personal protective equipment (gloves, safety goggles, lab coat) and working in a fume hood. Specific LD₅₀ values and acute toxicity classifications are available from safety data sheets.
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| Additional Infomation |
Pentafluorophenol is the parent compound; its structure is given in the first source.
Pentafluorophenol (PFP, CAS 771-61-9) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are in peptide synthesis as a reagent for the preparation of pentafluorophenyl active esters, in the synthesis of pharmaceuticals and agrochemicals, and in the production of liquid crystal materials. No clinical trials or approved therapeutic indications exist for this compound. |
| Molecular Formula |
C6HF5O
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|---|---|
| Molecular Weight |
184.06
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| Exact Mass |
183.994
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| CAS # |
771-61-9
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| Related CAS # |
4615-85-4 (potassium salt)
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| PubChem CID |
13041
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| Appearance |
Colorless to light yellow <34°C solid powder,>36°C liquid
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
146.3±35.0 °C at 760 mmHg
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| Melting Point |
34-36 °C(lit.)
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| Flash Point |
72.2±0.0 °C
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| Vapour Pressure |
3.7±0.3 mmHg at 25°C
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| Index of Refraction |
1.429
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| LogP |
3.05
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
150
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C(=C(C(=C(C=1O[H])F)F)F)F
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| InChi Key |
XBNGYFFABRKICK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
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| Chemical Name |
2,3,4,5,6-pentafluorophenol
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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 | 5.4330 mL | 27.1651 mL | 54.3301 mL | |
| 5 mM | 1.0866 mL | 5.4330 mL | 10.8660 mL | |
| 10 mM | 0.5433 mL | 2.7165 mL | 5.4330 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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