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| Targets |
2,2,3,3,3-Pentafluoropropanol does not have a defined pharmacological target as it is a chemical reagent and synthetic intermediate. The compound is used as a pharmaceutical intermediate in the synthesis of various active pharmaceutical ingredients. Its primary applications are in organic synthesis and as a building block for fluorinated compounds. The compound is not intended to interact with biological targets but is used as a reagent in chemical transformations.
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| ln Vitro |
2,2,3,3,3-pentafluoro-1-propanol is employed as a medicinal intermediary. It can be applied to dyes, medications, insecticides, and other industries.
No specific in vitro pharmacological activity data are available for 2,2,3,3,3-Pentafluoropropanol as a drug candidate. In research settings, the compound is used as a reagent for photochemical O-H functionalization reactions. Its activity is assessed in terms of chemical reactivity and synthetic utility rather than direct biological activity. The compound serves as a building block for the synthesis of fluorinated pharmaceuticals and agrochemicals. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 2,2,3,3,3-Pentafluoropropanol as a therapeutic agent. The compound is used exclusively as a chemical reagent and pharmaceutical intermediate. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and pharmaceutical intermediate production. The compound is not intended for therapeutic use.
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| Enzyme Assay |
For non-cellular assays, 2,2,3,3,3-Pentafluoropropanol is characterized by standard analytical techniques including GC, NMR, and mass spectrometry to confirm identity and purity. Purity is typically ≥97-98%. The compound has a boiling point of 80°C at 748 mmHg and density of 1.505 g/mL at 25°C. Storage: room temperature in a cool and dark place (<15°C). Typical protocols involve using the compound as a reagent in photochemical reactions or as a solvent in organic synthesis.
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| Cell Assay |
For in vitro cell-based studies, 2,2,3,3,3-Pentafluoropropanol is not typically used as a direct test compound. It is a chemical reagent for synthetic chemistry applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to its irritant properties. The compound is a liquid at room temperature and should be stored in a cool, dry place away from heat and open flames.
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| Animal Protocol |
For in vivo animal studies, 2,2,3,3,3-Pentafluoropropanol is not typically administered as a test compound. It is used as a chemical reagent and pharmaceutical intermediate. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed for all in vivo studies. The compound has an irritation threshold of 3000 mg/m³ and is irritating to eyes, skin, mucous membranes, and the upper respiratory tract.
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| ADME/Pharmacokinetics |
2,2,3,3,3-Pentafluoropropanol has a molecular weight of 150.05 and formula C₃H₃F₅O. It has a boiling point of 80-81°C and density of 1.505-1.509 g/mL at 25°C. Refractive index: 1.288-1.295. Storage: room temperature in a cool and dark place (<15°C). Purity: ≥97-98%. The compound is a colorless liquid.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (mice) = 10,000 mg/m³ 2,2,3,3,3-Pentafluoropropanol is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. The compound is irritating to eyes, skin, mucous membranes, and the upper respiratory tract. Appropriate personal protective equipment including gloves and safety glasses should be worn. The compound is environmentally hazardous and can cause water pollution. |
| Additional Infomation |
See also: ...View more...
2,2,3,3,3-Pentafluoropropanol (CAS 422-05-9) is also known as 2,2,3,3,3-pentafluoro-1-propanol. It is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions. Applications include use as a pharmaceutical intermediate and in agrochemical, pharmaceutical, and dyestuff fields. No clinical trials or therapeutic approvals exist for this compound. |
| Molecular Formula |
C3H3F5O
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| Molecular Weight |
150.05
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| Exact Mass |
150.01
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| CAS # |
422-05-9
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| PubChem CID |
9872
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
80.4±0.0 °C at 760 mmHg
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| Flash Point |
11.6±25.9 °C
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| Vapour Pressure |
56.6±0.2 mmHg at 25°C
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| Index of Refraction |
1.283
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| LogP |
1.23
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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 |
1
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| Heavy Atom Count |
9
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| Complexity |
94.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C([H])([H])O[H])(C(F)(F)F)F
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| InChi Key |
PSQZJKGXDGNDFP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
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| Chemical Name |
2,2,3,3,3-pentafluoropropan-1-ol
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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 | 6.6644 mL | 33.3222 mL | 66.6445 mL | |
| 5 mM | 1.3329 mL | 6.6644 mL | 13.3289 mL | |
| 10 mM | 0.6664 mL | 3.3322 mL | 6.6644 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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