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| CAS No.: | 2923-16-2 |
|---|---|
| Name: | Potassium trifluoroacetate |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C2F3KO2 |
| Molecular Weight: | 152.114 |
| Synonyms: | Aceticacid, trifluoro-, potassium salt (8CI,9CI);Potassium trifluoroacetate; |
| EINECS: | 220-877-5 |
| Density: | 1.49 g/mL(lit.) |
| Melting Point: | 140-142 °C(lit.) |
| Boiling Point: | 72.2 °C at 760 mmHg |
| Solubility: | 0.1 g/mL, clear, colorless in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3288 |
| PSA: | 40.13000 |
| LogP: | -0.70140 |
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Specification
The Potassium trifluoroacetate, with the CAS registry number 2923-16-2 and EINECS registry number 220-877-5, is also called Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1). It is a kind of white crystalline powder which is hygroscopic. And the molecular formula of this chemical is C2F3KO2.
The physical properties of Potassium trifluoroacetate are as following: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Enthalpy of Vaporization: 34.62 kJ/mol; (14)Boiling Point: 72.2 °C at 760 mmHg; (15)Vapour Pressure: 96.2 mmHg at 25°C.
Uses of Potassium trifluoroacetate: It can react with thiocarbonic acid S-ethyl ester O-iodomethyl ester to produce trifluoro-acetic acid ethylsulfanylcarbonyloxymethyl ester. The reaction time is 3 days with ambient temperature, and the yield is about 42%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].FC(F)(F)C([O-])=O
(2)InChI: InChI=1/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
(3)InChIKey: CUNPJFGIODEJLQ-REWHXWOFAI