2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone 1-(三氟乙酰)咪唑

CAS 1546-79-8 MFCD00014501

化学结构图

1546-79-8
SMILES: O=C(n1ccnc1)C(F)(F)F

化学属性

Mol. FormulaC5H3F3N2O
Mol. Weight164.09
Boiling Point151.4 °C at 760 mmHg
TSCAT
Refractive indexn20/D 1.424(lit.)
Density1.442
Flash Point45°C(lit.)
Solubility起反应
Stability对湿度敏感

别名和识别编码

Chemical Name2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone
CAS Number1546-79-8
Alfabeta NameTRIFLUOROACETYLIMIDAZOLE 1()-
MDL NumberMFCD00014501
PubChem Substance ID73767
EC Number216-282-5
Beilstein Registry Number608904
Synonym 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone {} {} {} {} {}
Reaxys-RN608904
Chemical Name Translation1-(三氟乙酰)咪唑
LabNetwork Molecule IDLN00116452
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
Canonical SMILESFC(F)(F)C(N1C=CN=C1)=O
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分类

  • {SA} Analytical Reagents, Analytical/Chromatography, Derivatization Reagents, Derivatization Reagents GC, Reagents for Acylation
  • {SNA} Acylation Reagents, Amines, Analytical Reagents, Analytical/Chromatography, Building Blocks, C3 to C8, Chemical Synthesis, Derivatization Reagents, Derivatization Re
  • {SNA} Acylation Reagents, Amines, Building Blocks, C3 to C8, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents GC, GC Derivatization Reagents, by Application, Heterocyclic Building Blocks, Imidazoles, 分析/色谱, 分析试剂

产品应用

  • 1-(Trifluoroacetyl)imidazole may be employed as derivatization reagent for the detection of mustard gas degradation products, thiodiglycol and thiodiglycol sulfoxide using gas chromatography-tandem mass spectrometry. It may be used as reagent for the trifluoroacetylation of amines. It was used for derivatization of ethanolamine phospholipid-alkenal Michael adducts for GC-MS analysis. It was used in the determination of quinolinic acid, a kynurenine metabolite, by GC/MS.

相关文献及参考

  • Reagent for the preparation of volatile trifluoroacetyl derivatives of amines, alcohols, etc., for GC: J. Chromat., 60, 134 (1971); 69, 157 (1972); 97, 19, 175 (1974). See also N-Acetyl­imidazole, L00137. For monographs on GC reagents, see: D. R. Knapp, Handbook of Analytical Derivatisation Reactions, Wiley, N.Y. (1979); Handbook of Derivatives for Chromatography, 2nd ed., K. Blau and J. M. Halket, Eds., Wiley, Chichester (1993).

安全信息

Warnings MOISTURE SENSITIVE, HYGROSCOPIC, KEEP COLD
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P305+P351+P338+P337+P313
Signal word
Packing GroupIII
UN Number
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R10 Flammable 易燃
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes
Hazard Class3

其他信息

  • MOL 文件:1546-79-8.mol
  • Alfa Aesar:N-三氟乙酰咪唑,98+% 1-(Trifluoroacetyl)imidazole, 98+%(1546-79-8)
  • Sigma Aldrich:1546-79-8(sigmaaldrich)
  • 图谱信息:1-(三氟乙酰)咪唑(1546-79-8)质谱(MS) 1-(三氟乙酰)咪唑(1546-79-8)红外图谱(IR1) 1-(三氟乙酰)咪唑(1546-79-8)核磁图( 1 HNMR)
  • TSCA:T
  • Hazard Note:Flammable/Moisture Sensitive/Keep Cold
  • 敏感性:Moisture Sensitive
  • TCI Shanghai:N-三氟乙酰基咪唑 1-(Trifluoroacetyl)imidazole,>;98.0%(T)(1546-79-8)
  • F:10-21
  • Acros Organics:1-(三氟乙酰基)咪唑 1-(Trifluoroacetyl)imidazole, 98%(1546-79-8)
  • 1-(三氟乙酰)咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0670 1-(三氟乙酰基)咪唑 1-(Trifluoroacetyl)imidazole 5G 384元 2014/06/02 T0670 1-(三氟乙酰基)咪唑 1-(Trifluoroacetyl)imidazole 25G 1280元 2010/06/21 377190050 1-(三氟乙酰)咪唑 1-(Trifluoroacetyl)imidazole 95% 5 ML 686元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Protection and Derivatization - Synthetic Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents GC - Derivatization Reagents
  5. Reagents for Acylation - Derivatization Reagents GC
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles
  1. Analytical & Chromatography 分析化学与色谱
  2. GC Derivatizing Reagents

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