| Identification | More | [Name]
1-(Trifluoroacetyl)imidazole | [CAS]
1546-79-8 | [Synonyms]
1-(trifluoroacetyl)-1h-imidazole
1-(TRIFLUOROACETYL)IMIDAZOLE
N-TRIFLUOROACETYLIMIDAZOLE
TFAI
TRIFLUOROACETYLIMIDAZOLE
1H-Imidazole, 1-(trifluoroacetyl)-
1-(TRIFLUOROACETYL)IMIDAZOLE, DERIVATI-Z ATION REAGENT
1-(TRIFLUOROACETYL)IMIDAZOLE, DERIVATIZA TION GRADE
1H-Imidazole, 1-(trifluoroacetyl)-(9CI)
1-(Trifluoroacetyl)-1H-imidazole 98%
1-(Trifluoroacetyl)-1H-imidazole98%
N-Trifluoroacetylimidazole, 98+%
Trifluoromethyl(1H-imidazole-1-yl) ketone | [EINECS(EC#)]
216-282-5 | [Molecular Formula]
C5H3F3N2O | [MDL Number]
MFCD00014501 | [Molecular Weight]
164.09 | [MOL File]
1546-79-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to pink liquid | [Boiling point ]
137 °C(lit.) | [density ]
1.442 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.424(lit.)
| [Fp ]
113 °F
| [storage temp. ]
0-6°C | [solubility ]
sol most common solvents, e.g. ether, THF. | [form ]
clear liquid | [pka]
0.78±0.10(Predicted) | [color ]
Colorless to Yellow to Orange | [Specific Gravity]
1.442 | [Water Solubility ]
reacts | [Sensitive ]
Moisture Sensitive | [BRN ]
608904 | [InChI]
1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H | [InChIKey]
SINBGNJPYWNUQI-UHFFFAOYSA-N | [SMILES]
FC(F)(F)C(=O)n1ccnc1 | [CAS DataBase Reference]
1546-79-8(CAS DataBase Reference) | [NIST Chemistry Reference]
N-Trifluoroacetylimidazole(1546-79-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F,C | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [F ]
10-21 | [Hazard Note ]
Flammable/Moisture Sensitive/Keep Cold | [TSCA ]
T | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29332900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to pink liquid | [Uses]
1-(Trifluoroacetyl)imidazole was used as a derivating agent to sequentially derivatize functional groups like amino groups, in a study demonstrating trimethylsilyl esters of aromatic and aliphatic sulfonic acids. | [Preparation]
N,N′-Carbonyldiimidazole (20.5 g) is dissolved in 100 ml of dry THF and treated dropwise with 28.8 g of Trifluoroacetic Acid in 80 mL of dry THF. The resulting solution is cooled for several hours. Removal of the solvent and distillation of the filtrate gives 14.4 g of material. Alternatively, Imidazole (25.8 g) in 120 mL of dried THF is treated dropwise, with cooling, with 39.9 g of Trifluoroacetic Anhydride in 50 mL of dried THF. Filtration, removal of solvent, and distillation gives 24.8 g of 1-(Trifluoroacetyl)imidazole. | [General Description]
1-(Trifluoroacetyl)imidazole is a derivatizing reagent. | [reaction suitability]
reagent type: derivatization reagent
reaction type: Acylations | [storage]
store under nitrogen, carefully excluding water. Irritant; moisture sensitive; keep cold; flammable. |
|
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