Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)
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Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)
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CAS No:
2923-16-2
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Formula:
C2HF3O2.K
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Chemical Name:
Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)
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Synonyms:
Acetic acid,2,2,2-trifluoro-,potassium salt (1:1);Acetic acid,trifluoro-,potassium salt;Potassium trifluoroacetate
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CAS No:
Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) Basic Attributes
152.11400
151.94900
220-877-5
2915900090
Characteristics
40.13000
2.433 g/cm3
143-145 °C
72.2ºC at 760 mmHg
H2O: 0.1 g/mL, clear, colorless
96.2mmHg at 25°C
Safety Information
II
UN 3288
3
R36/37/38
S26-S36
Xi
P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H412
|Danger|H300 (78.43%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) Use and Manufacturing
Potassium salt of trifluoroacetic acid (CF3-COOK (5)); 20 ml water, 73 ml MeCN, 1.33 g KBr, TEMPO (0.46 g), and 10 g of trifluoroethanol are placed in a 500 ml glass flask equipped with a dropping funnel and stirrer. 175ml of 15percent> wt. aq. NaOCl buffered to pH 8-9 were added via the dropping funnel in 3 portions over two days while stirring at room temperature. Concentrated sulphuric acid and water were added to make the reaction mixture acidic (pH 1 to 2). The reaction mixture was extracted three times with diethyl ether. The combined ether phases were dried over magnesium sulphate and then distilled at atmospheric pressure. Methanol (60 ml) and potassium methoxide (7 g) were added to the distillate and the mixture was stirred for one hour at room temperature, filtered and evaporated to give a colorless solid (13.13 g) Yield: 86percent. General rocedure: 5.5 ml of aq. solutions of KBr (0.55 mol/dmK(B3N3Me6)CF3 (2 mmol, 0.2 M stock in DMSO) was placed in a Fisher-Porter tube with a small stirbar. The vessel was charged with 60 psi carbon dioxide, and stirred. A pressure drop to 6 psi was observed along with the precipitation of copious white solid. The reaction was stirred at room temperature for 12 hours. After this time, the reaction mixture was extracted with pentane ( x 10 mL). The combined pentane extracts were dried over anhydrous calcium chloride to remove trace DMSO, then filtered and evaporated under high vacuum to afford hexamethylborazine in 95percent yield(314 mg, 1.91 mmol). 1H-NMR (CDC13): 2.86 (a, 9H, s), 0.47 (13, 9H, s). 13C-NMR: 34.52, 0.03 (broad). 11B.NMR: 36.52 (s). HRMS (ES+): 165.1781 (M+: 165.1780). Recovered Hexamethylborazine:The DMSO phase was evaporated overnight at 25 °C in a sublimation apparatus with a coldfinger cooled to 2 °C under dynamic vacuum (0.1 mTorr). The residual solid was then extracted into water, and this was then carefully dried in a scintillation vial to give potassium trifluoroacetate as an off-white solid in 93percent yield (285 mg, 1.86 mmol). 13C{19F}NMR (D20): 162.90, 116.32. 19FNMR (D20): -75.40 (s).(6) A mixture of 1.00 g of 2, 2-bisfluoromethyl-6-iodo-2H-1-benzopyran-4-carboxylic acid ethyl ester, 0.84 g of (6) A mixture of 1.00 g of ethyl 2, 2-bisfluoromethyl-6-iodo-2H-1-benzopyran-4-carboxylate, 0.84 g of In a 1 L reactor, 220 g (1.44 mol) of
Computed Properties
Molecular Weight:152.11
Hydrogen Bond Acceptor Count:5
Exact Mass:151.94874521
Monoisotopic Mass:151.94874521
Topological Polar Surface Area:40.1
Heavy Atom Count:8
Complexity:87.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)
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