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Basic Information
| CAS No.: | 684-16-2 |
|---|---|
| Name: | Hexafluoroacetone |
| Molecular Structure: | |
|
|
|
| Formula: | C3F6 O |
| Molecular Weight: | 166.023 |
| Synonyms: | 2-Propanone,hexafluoro- (6CI); 1,1,1,3,3,3-Hexafluoro-2-propanone;1,1,1,3,3,3-Hexafluoroacetone; Bis(trifluoromethyl) ketone; GC 7887;Hexafluoro-2-propanone; Hexafluoroacetone; NSC 202438; Perfluoro-2-propanone;Perfluoroacetone |
| EINECS: | 211-676-3 |
| Density: | 1,32 g/cm3 |
| Melting Point: | -129 ºC |
| Boiling Point: | -26 ºC |
| Appearance: | generally supplied as liquid under pressure |
| Hazard Symbols: |
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| Risk Codes: | R60;R14;R23/24/25;R34;R63 |
| Safety: | A poison by ingestion. Moderately toxic by inhalation. A poisonous irritant to the skin, eyes, and mucous membranes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of F−. See also FLUORINE and FLUORIDES. |
| Transport Information: | UN 2420 |
| PSA: | 17.07000 |
| LogP: | 1.68010 |
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Hexafluoroacetone
Chemistry
Hexafluoroacetone(684-16-2) is a chemical compound with the formula CF3-CO-CF3. It is structurally similar to acetone, however its reactivity is markedly different. It comes in the form of a colourless, hygroscopic, nonflammable, highly reactive gas characterized by a musty odour. The most common form of this substance is hexafluoroacetone sesquihydrate (1.5 H2O), which is a gem-diol.
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one
Molecular formula: C3F6O
Molar mass: 166.02 g/mol
Appearance: Colorless gas
Density: 1.32 g/ml, liquid
Melting point: -129 °C (144 K)
Boiling point: -28 °C (245 K)
Solubility in water: Reacts with water
Other names: perfluoroacetone, acetone hexafluoride, perfluoro-2-propanone
The Structure of HEXAFLUOROACETONE(684-16-2):
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one
Molecular formula: C3F6O
Molar mass: 166.02 g/mol
Appearance: Colorless gas
Density: 1.32 g/ml, liquid
Melting point: -129 °C (144 K)
Boiling point: -28 °C (245 K)
Solubility in water: Reacts with water
Other names: perfluoroacetone, acetone hexafluoride, perfluoro-2-propanone
The Structure of HEXAFLUOROACETONE(684-16-2):
Uses
Hexafluoroacetone(684-16-2) is mostly employed in organic synthesis, but it is also the main chemical intermediate used in the production of hexafluoroisopropanol, as well as polymethyl methacrylates and polyesters for textile coating. Hexafluoroacetone(684-16-2) can be employed as a solvent for acetal resins, polyamides and polyglycolide or as a polymer adhesive.
Production
Hexafluoroacetone(684-16-2) is prepared in a two step process from perfluoropropene. In the first step KF catalyzes the reaction of the alkene with elemental sulfur to give the 1,3-dithete [(CF3)2CS]2. This species is then oxidized by iodate to give (CF3)2CO.
Toxicity Data With Reference
| 1. | skn-rat TDLo:55 mg/kg (6-16D preg):TER | TXAPA9 Toxicology and Applied Pharmacology. 41 (1977),195. | ||
| 2. | skn-rat TDLo:100 mg/kg (6-15D preg):REP | FAATDF Fundamental and Applied Toxicology. 2 (1982),73. | ||
| 3. | orl-rat LDLo:191 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),341. | ||
| 4. | ihl-rat LC50:275 ppm/3H | TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),341. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by ingestion. Moderately toxic by inhalation. A poisonous irritant to the skin, eyes, and mucous membranes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of F−. See also FLUORINE and FLUORIDES.
Hazard Codes:
T
Risk Statements: 60-14-23/24/25-34-63
60: May impair fertility
14: Reacts violently with water
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
34: Causes burns
63: Possible risk of harm to the unborn child
Safety Statements: 53-26-28-36-45-7/9
53: Avoid exposure - obtain special instruction before use
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
7/9: Keep container tightly closed and in a well-ventilated place
RIDADR: UN 2420 2.3
WGK Germany: 3
RTECS: UC2450000
Hazard Note: Highly Toxic
TSCA: T
HazardClass: 2.3
Hazard Codes:
T Risk Statements: 60-14-23/24/25-34-63
60: May impair fertility
14: Reacts violently with water
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
34: Causes burns
63: Possible risk of harm to the unborn child
Safety Statements: 53-26-28-36-45-7/9
53: Avoid exposure - obtain special instruction before use
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
7/9: Keep container tightly closed and in a well-ventilated place
RIDADR: UN 2420 2.3
WGK Germany: 3
RTECS: UC2450000
Hazard Note: Highly Toxic
TSCA: T
HazardClass: 2.3
Standards and Recommendations
OSHA PEL: TWA 0.1 ppm (skin)
ACGIH TLV: TWA 0.1 ppm (skin)
DOT Classification: 2.3; Label: Poison Gas
ACGIH TLV: TWA 0.1 ppm (skin)
DOT Classification: 2.3; Label: Poison Gas