1-1-1-Trifluoroacetone CAS 421-50-1, 1-1-1-Trifluoroacetone, CAS 421-50-1
Molecular formula: C₃H₃F₃O,Molecular weight: 112.05,Appearance: Colorless and transparent liquid with a chloroform odor.
421-50-1
C3H3F3O
112.05
207-005-9
| CAS | 421-50-1 |
| Molecular formula | C3H3F3O |
| Molecular weight | 112.05 |
| EIENCS | 207-005-9 |
| Form | Liquid |
| Melting point | -78°C |
| boling point | 22°C |
| Density | 1.252 g/mL at 25 °C |
| Solubility | Chloroform, Methanol |
| PKA | / |
| Color | Clear colorless |
| Storage temp | 2-8°C |
Molecules and physicochemical parameters
Molecular formula: C₃H₃F₃O
Molecular weight: 112.05
Appearance: Colorless and transparent liquid with a chloroform odor.
Melting and boiling points: Melting point -78°C, boiling point 22°C (highly volatile).
Density: 1.252 g/mL (25°C).
Solubility: Miscible with water, readily soluble in organic solvents such as methanol, chloroform and acetone.
Danger
Flash point -30°C, it is an extremely flammable liquid (GHS Category 1), and its vapor can explode when mixed with air (the explosion limit is not disclosed).
It is highly irritating to the eyes, respiratory tract and skin (risk terms R36/37/38).
Stability and reactivity
It has high chemical stability and is resistant to acids, alkalis and oxidants, but it can decompose at high temperatures to produce highly toxic phosgene (COCl₂) and hydrogen fluoride.
Incompatible substances: Strong oxidants, strong alkali (may cause fire or explosion).
Industrial application
Solvent: Used in coatings, degreasing agents, gas sealants and cleaning agents.
Polymer additives: As expansion agents for polyurethane and polytetrafluoroethylene, plasticizers and flame retardants for coatings.
Organic synthetic block
Synthesize hexafluoroacetylacetone (a metal chelating agent).
Prepare pharmaceutical intermediates, such as active ingredients for antihypertensive drugs.
Trifluoromethylation reagent, used for introducing the -CF₃ group.
Scientific research field
A key reagent in reductive amination reactions, participating in the construction of fluorine-containing bioactive molecules.
Health hazard
Acute exposure: Headache and pulmonary edema caused by inhalation of vapor; Skin contact causes inflammation or allergy; Eye contact can cause corneal damage.
Chronic risk: Long-term exposure may damage liver and kidney function (unclassified carcinogenicity by IARC).
Operation and storage requirements
Protective equipment: Gas masks, chemical protective suits, acid-resistant gloves and goggles (safety terms S36/37/39).
Storage conditions
Store in a sealed, light-proof container at 2 to 8°C, away from fire sources and static electricity.
Do not use plastic containers (they are prone to swelling). Stainless steel or glass containers are recommended.
Leakage treatment
Small amount: Adsorb with sand and soil; A large amount: Build embankments, cover with foam and then transfer.
Do not rinse with water (it may spread contamination).
Transportation and Disposal
Transport classification: UN 1993 (Flammable liquids, packaging Class I).
Disposal: Incinerate as hazardous waste. Discharge into the sewer is strictly prohibited.
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