| Identification | More | [Name]
Trifluoroacetamide | [CAS]
354-38-1 | [Synonyms]
2,2,2-TRIFLUOROACETAMIDE
TRIFLUOROACETAMIDE
TRIFLUOROACETIC ACID AMIDE
2,2,2-trifluoro-acetamid
CF3CONH2
Triflouroacetamide
TRIFLUOROACETAMIDE 98%
Acetamide, 2,2,2-trifluoro-
2,2,2-TRIFLOUROACETAMIDE
2,2,2-TRIFLOUROACET-AMIDE (TFAA)
Trifluoroacetamide98%
2,2,2-TRIFLOUROACET-AMIDE TFAA 98+%
2,2,2-Trifluoroacetamide (TFAA)
2,2,2-Trifluoroacetamide ,99% | [EINECS(EC#)]
206-559-9 | [Molecular Formula]
C2H2F3NO | [MDL Number]
MFCD00008008 | [Molecular Weight]
113.04 | [MOL File]
354-38-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to pale yellow or beige crystalline powder | [Melting point ]
65-70 °C (lit.) | [Boiling point ]
162.5 °C (lit.) | [bulk density]
960kg/m3 | [density ]
1.4176 (estimate) | [Fp ]
162-164°C | [storage temp. ]
Store at RT. | [solubility ]
460 g/L (20°C) | [form ]
Crystalline Powder or Crystals | [pka]
12.33±0.50(Predicted) | [color ]
White to pale yellow or beige | [PH]
3.6 (460g/l, H2O, 23℃) | [Water Solubility ]
460 g/L (20 ºC) | [Detection Methods]
GC | [BRN ]
1753625 | [InChI]
1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7) | [InChIKey]
NRKYWOKHZRQRJR-UHFFFAOYSA-N | [SMILES]
NC(=O)C(F)(F)F | [LogP]
0.725 at 23℃ and pH4.83 | [Dissociation constant]
0 at 23℃ | [CAS DataBase Reference]
354-38-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Acetamide, 2,2,2-trifluoro-(354-38-1) | [EPA Substance Registry System]
354-38-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
1759 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
T | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29241900 | [Storage Class]
13 - Non Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to pale yellow or beige crystalline powder | [Uses]
pharmaceutical intermediate | [Application]
Trifluoroacetamide was used as probe for determination of membrane potential and extra/intracellular volume of erythrocytes by fluorine-19 NMR studies. | [Preparation]
One-pot synthetic approach to produce trifluoroacetamide has been developed using an electrochemical method with the B12 complex as a catalyst under mild conditions, in open air at room temperature. Thirty examples of trifluoroacetamide were synthesized from 1,1,1-trichloro-2,2,2-trifluoroethane (CFC-113a) in moderate to good yields. This user-friendly strategy is compatible with a broad range of trifluoroacetamide syntheses.
10.1142/S1088424621500292 | [General Description]
Trifluoroacetamide is a good quencher of tryptophan fluorescence. | [Synthesis]
Example 5: Synthesis of the blocking isomer trifluoroacetamide 3a
The block trans isomer 2a (0.93 g, 1.84 mmol, 503.4 g/mol) as a sulfate was dissolved in 15 mL of ethanol. Under argon protection, triethylamine (1.8 mL, 13 mmol) and ethyl trifluoroacetate (2.2 mL, 18 mmol) were slowly added (Figure 2a). The reaction mixture was stirred for 2.5 h at room temperature. Upon completion of the reaction, the volatiles were removed by distillation under reduced pressure. The resulting residue was dissolved in 300 mL of ethyl acetate and washed sequentially with 2 x 50 mL of 5% hydrochloric acid solution. The organic phase was dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford block-transfer isomerized trifluoroacetamide 3a as an orange solid (0.92 g, 100% yield, 501.4 g/mol).
1H NMR (methanol-d4) δ 8.35 (1H, d); 8.15 (1H, d); 7.80 (1H, s); 6.82 (1H, s); 6.65 (4H, m); 4.82 (2H, s). | [References]
[1] Patent: US6448407, 2002, B1
[2] Journal of the American Chemical Society, 1943, vol. 65, p. 1459
[3] Journal of the American Chemical Society, 1943, vol. 65, p. 1459
[4] Journal of Organic Chemistry, 1959, vol. 24, p. 1256,1258
[5] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1922, vol. <5>8, p. 346 |
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