Trifluoroacetone CAS 421-50-1
Name:Trifluoroacetone
CAS: 421-50-1
Purity: 99%min
MOQ: 1KG
Chemical Structure
Basic Info:
| CAS No: | 421-50-1 |
| Name: | Trifluoroacetone |
| EINECS: | 207-005-9 |
| Formula: | C3H3F3O |
| Weight: | 112.05 |
| Other Names: | Creatine phosphate |
| Type: | Organic raw materials |
| Shelf Life: | 2 years |
| Brand Name: | Look Chem |
| Place of Origin: | Shandong, China |
Product Introduction:
Trifluoroacetone (Common English name: Trifluoroacetone; also often written as 1,1,1-trifluoropropan-2-one, CAS 421-50-1) is a small molecule fluorine-containing ketone raw material, molecular formula C₃H₃F₃O, molecular weight 112.05. Need to pay attention, although it is abbreviated as TFA in some cases, it is not recommended to use this abbreviation, so as to avoid confusion with “Trifluoroacetic acid“.
Its appearance is usually colorless transparent liquid, it is extremely volatile, boiling point (1 atm) is 21–24℃ (common labeling 22℃), melting point about -78℃ (some catalogs label ≤−78℃), density about 1.25 g/mL, closed cup flash point about -30℃. Because normal temperature approaches or even exceeds its boiling point, opening the lid makes it extremely easy to volatilize and lose, and the internal pressure of closed container is easy to rise after heating, therefore in operation and storage must follow “extremely flammable volatile chemicals” standard, pay extra attention to airtight, overpressure risk and ventilation management.
Nature and Specifications:
Specification
Product Nature
Specification
| Item | Specification |
| Product Name | Trifluoroacetone |
| CAS No. | 421-50-1 |
| Appearance | Liquid |
| Shelf Life | 2 years |
| Packing | 1kg/bag,25kg/bag or as your requirements |
Product Nature
| Melting Point | -78 °C |
| Boiling Point | 22 °C (lit.) |
| Density | 1.252 g/mL at 25 °C (lit.) |
| Vapor Pressure | 13.62 psi (20 °C) |
| Refractive Index | n₂₀/D 1.3 (lit.) |
Product Packaging
Trifluoroacetone Uses:
Trifluoroacetone is essentially a ketone with CF₃. For synthesis, this is equivalent to binding “strong electron-withdrawing CF₃” and “transformable carbonyl” together:
Carbonyl can do reduction, addition, condensation, cyclization and other common conversions;
CF₃ is often used to regulate the hydrophobicity, electronic effect and stability of target molecules (not talking about terminal use, only talking about molecular property regulation). Therefore, it is often used as the starting material of fluorine-containing structure: first put CF₃ this “functional fragment” inside, then through the carbonyl site grow the skeleton step by step.
It is used in relevant routes for synthesizing 2-trifluoromethyl-7-azaindoles; meanwhile, it can also obtain amino acid/diamine derivative structures containing trifluoromethyl through forming chiral imine and further participating in Strecker reaction (here we only regard it as example of “synthesis methodology and intermediate development”). For R&D and process teams, the core value of this kind of use lies in: using a commercially available raw material, directly bring CF₃ into the target skeleton, reducing the circuitous steps of “make fluorine fragment first, then couple”.
Trifluoroacetone not only can be “reacted substrate”, in specific systems can also be “role helping reaction happen”. For example, in Oppenauer oxidation, it can act as hydride acceptor, in the presence of aluminum reagents (aluminum alkoxides) to realize selective oxidation of secondary alcohol in the presence of primary alcohol (that is, only oxidize secondary alcohol, retain primary alcohol). This kind of use has practical significance for process amplification: when there are multiple hydroxyl groups or multiple reactive sites in the system, selectivity is often more important than “whether can react”.
Many teams treat Trifluoroacetone as standard substrate to do:
Nucleophilic addition (carbanion/organometallic reagents, etc.)
Condensation, cyclization, constructing new functional group combinations containing CF₃
Asymmetric reaction condition screening (comparison of same substrate under different catalytic systems is more intuitive) Mainstream reagent catalog usually also describes it as “effective synthetic building block” and “trifluoromethyl related reaction reagent“.
Carbonyl determines that Trifluoroacetone is easy to participate in addition, condensation, redox and cyclization; CF₃ determines its presence in fluorine-containing structure construction. For R&D and process, this kind of raw material with “clear structure, large operable space“, often can significantly reduce route exploration cost.
Its boiling point is around 21–24℃, this brings a very realistic benefit: under reduced pressure or temperature control conditions, residual raw materials are very easy to remove. But this also means easier to cause material loss, when scaling up suggested to configure condensation recovery and tail gas absorption system, so as to avoid material loss or polluting vacuum lines.
Because Trifluoroacetone volatility is strong, some suppliers will adopt packaging forms more suitable for low boiling point chemicals (for example small steel cylinders/containers with valves), certainly there are also conventional glass bottle packaging; this provides more choices for customers who need to reduce opening times or reduce loss risk.
In fluorine-containing projects, R&D common practice is to make CF₃, CHF₂, F, Cl and other fragments as a group of comparison. Trifluoroacetone due to small structure, large change space, is often put into this kind of comparison combination, helping team faster judge “whether continuing to go fluorine-containing route is worth it“. (Here saying is R&D strategy, not involving any terminal claim.)
Industry Q & A
A: Common supply grades cover 95%–98%+(GC). R&D commonly uses 95–97% specifications, if used for key step scale-up, usually designate 98%+ and lock impurity profile. Suggest putting focus on: moisture control, impurity profile stability, and batch-to-batch GC consistency. We usually will provide test report according to batch, and support customer re-check.
A: Because its boiling point is at 21–24℃, normal temperature is very close to the state where it tends to vaporize; meanwhile flash point is low, risk mainly comes from vapor after volatilization. There is also glass bottle packaging, also have suppliers using small steel cylinders for delivery to reduce volatilization loss. More suitable packaging can significantly reduce volatilization loss during transportation and storage, also can reduce moisture absorption and material loss caused by repeated lid opening.
A: Suggest preserving under 2–8℃ condition, suggest using explosion-proof refrigerator for flammable chemicals, and keep container airtight, away from fire source. Many customers’ experience is: low temperature can obviously reduce volatilization loss; airtight can reduce moisture absorption and composition drift. For scenarios needing long-term preservation or repeated taking, suggest sub-packaging into smaller packages, reducing lid opening times.
A: Partial suppliers clearly label it “Air Sensitive / Hygroscopic“. Therefore, if your reaction is very sensitive to water, suggest managing according to “water content control material“: after taking out let raw material warm to room temperature then quickly sample, timely re-seal; when necessary operate under inert gas protection, and do a moisture confirmation before use.
A: Suggest paying attention to three points: 1) Extremely flammable: closed cup flash point about -30℃, vapor risk is high, must be away from heat source, fire source. 2) Inhalation risk: volatilization is fast, opening lid and transfer stage must proceed in fume hood, avoid inhaling vapor. 3) Corrosive / severe skin burns and eye damage risk : This product is a chemical that causes serious damage to skin and eyes, manage according to high volatility, flammable and significantly harmful to skin/eyes material.
A: Conventional suggestion contains three blocks (FTIR only as auxiliary): 1) Purity/Main content: GC mainly (designate grade according to project requirement, for example 95%+, 97% or 98%+ etc., and suggest locking impurity profile). 2) Structure confirmation: recommend ¹H NMR or ¹⁹F NMR, structure and fluorine-containing fingerprint are more intuitive than infrared. 3) Key impurity attention: especially moisture (KF method), low boiling residue and trace impurities that will affect downstream reaction selectivity.
A: This kind of low boiling point fluorine-containing raw material, scale-up purchasing suggests splitting “lead time” into three parts to evaluate: stocking cycle, packaging preparation cycle, and temperature control & transportation arrangement cycle. Because it has strong volatility, more sensitive to sealing and temperature control, locking packaging scheme in advance (whether need steel cylinder/sub-package specification/disposable taking packaging) is often more critical than purely talking about delivery time.
Related References:
Trifluoroacetone Manufacturer & Supplier
As an experienced Trifluoroacetone manufacturer and supplier, Look Chemical is committed to producing and selling high quality products.
We cooperate and trade with 6000+ factories around the world, and our high-quality products and excellent services make us enjoy a high reputation internationally.
As Trifluoroacetone supplier, Look Chemical provides supply chain solutions to partners and customers in a wide range of industries. We offer competitive pricing and quality products.
If you have a demand for this product, please contact our company’s sales staff, we will provide you with a solution in the shortest time.
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I’m william, CEO of Look Chemical Co., Ltd. Welcome to visit our company. As China’s top Global Supply Specialist of chemicals, we have always been adhering to the principle of “service first, quality first, mutual benefit”, and we insist on Create value for customers and grow together with customers.
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We will make samples before mass production. After the samples are approved by the department and users, we will start mass production. During the production process, we will carry out 100% inspection, and then carry out random inspection before packaging.
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Our MOQ is 1kg. But usually we can also accept a smaller quantity, such as 100g, if you need it, provided that the sample fee is 100% paid.
IS THERE A DISCOUNT?
Different quantity has different discount.
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You can consult us to get free samples of some products, you only need to pay the freight or arrange express delivery to us and get the samples. You can send us the product specifications and requirements you need, and we will manufacture products according to your requirements.
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