Ethyl 4,4,4-Trifluoroacetoacetate 4,4,4-三氟乙酰乙酸乙酯

CAS 372-31-6 MFCD00000424

化学结构图

372-31-6
SMILES: CCOC(=O)CC(=O)C(F)(F)F

化学属性

Mol. FormulaC6H7F3O3
Mol. Weight184.11
Boiling Point129-130 °C at 760 mmHg
TSCAT
Density1.259
Refractive index1.3750 to 1.3780
Flash Point39°C(lit.)
Melting Point-39 °C
Solubility10 G/L (20 ºC)
Appearance 无色透明液体,沸点130-132℃,熔点-28℃,相对密度1.259。溶于水、乙醇、苯等溶剂。
pH:A

别名和识别编码

Chemical NameEthyl 4,4,4-Trifluoroacetoacetate
CAS Number372-31-6
Alfabeta NameETHYLTRIFLUOROACETOACETATE 444-,,
MDL NumberMFCD00000424
Synonym Ethyl 4,4,4-trifluoroacetoacetate {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,4,4-trifluoroacetoacetate {} {} {
EC Number206-750-7
Beilstein Registry Number608353
PubChem Substance ID67793
Reaxys-RN608353
Chemical Name Translation4,4,4-三氟乙酰乙酸乙酯
InChIKeyOCJKUQIPRNZDTK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00139790
InChIInChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
Canonical SMILESO=C(OCC)CC(C(F)(F)F)=O
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分类

  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 合成含氟杂环医药和农药的重要中间体,有机合成砌块。

相关文献及参考

  • Beilstein:3(2)425
  • For discussion of factors influencing O- vs C-alkylation, see: J. Chem. Soc., Chem. Commun., 83 (1989).
  • Short: EINECS
  • Short: III/38B

安全信息

Warnings IRRITANT, FLAMMABLE
GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P312+P330
  • P303+P361+P353
  • P305+P351+P338
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Risk Statements
  • R10 Flammable 易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R52/53
UN Number 3272
Packing GroupIII
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Hazard Class3

其他信息

  • MSDS 信息:Ethyl 3-oxo-4,4,4-trifluoroacetoacetate(372-31-6).msds
  • TCI Shanghai:三氟乙酰乙酸乙酯 Ethyl 4,4,4-Trifluoroacetoacetate,>;98.0%(GC)(372-31-6)
  • 用途三:合成含氟杂环医药和农药的重要中间体,有机合成砌块。
  • 三氟乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0810 4,4,4-三氟乙酰乙酸乙酯 Ethyl 4,4,4-Trifluoroacetoacetate 500G 1790元 2014/06/02 T0810 4,4,4-三氟乙酰乙酸乙酯 Ethyl 4,4,4-Trifluoroacetoacetate 25G 158元 2010/06/21 119031000 三氟乙酰乙酸乙酯 Et
  • 检测方法:GC
  • 图谱信息:三氟乙酰乙酸乙酯(372-31-6)核磁图( 13 CNMR) 三氟乙酰乙酸乙酯(372-31-6)质谱(MS) 三氟乙酰乙酸乙酯(372-31-6)红外图谱(IR1) 三氟乙酰乙酸乙酯(372-31-6)Raman光谱 三氟乙酰乙酸乙酯(372-31-6)核磁图( 1 HNMR)
  • 海关编码:29183000
  • TSCA:T
  • 下游产品:6-三氟甲基-4-溴嘧啶 --> 1-甲基-5-三氟甲基-1H-吡唑-4-酰氯 --> (1-甲基-5-三氟甲基-1H-吡唑-4-基)甲胺 --> 4-三氟甲基-2-甲硫基-嘧啶-5-羧酸 --> 1-苯基-5-三氟甲基-1H-吡唑-4-酰胺 --> 6-氟-4-三氟甲基喹啉-2-胺 --> 4-三氟甲基喹啉-2-甲酰肼 --> (1-甲基-5-三氟甲基-1H-吡唑-4-基)甲醇 --> 4-三氟甲基-2-氨基喹啉 --> 1-甲基-5-三氟甲基-1H-吡唑-4-酰胺 --> 4-三氟甲基-2-羟甲基喹碄 --> 6-氟-4-三氟甲基-2-羟甲基喹啉 --> 1-苯基-5-三氟甲基吡唑-4-酰氯 --> (1-叔丁基-5-三氟甲基-1H-吡唑-4-基)甲醇 --> (1-苯基-5-三氟甲基-1H-吡唑-4-基)甲胺 --> (1-苯基-5-三氟甲基-1H-吡唑-4-基)甲醇 --> 7-羟基-4-三氟甲基香豆素 --> 6-三氟甲基-4-羟基-2-甲硫基嘧啶 --> 4-溴-6-氟-2-(三氟甲基)喹啉 --> 1-苯基-5-三氟甲基-1H-吡唑-4-羧酸 --> 1-苯基-5-三氟甲基-1H-吡唑-4-羧酸乙酯 --> 4-甲基嘧啶 --> 1-叔丁基-5-三氟甲基-1H-吡唑-4-羧酸乙酯 --> 4-溴-2-三氟甲基喹啉 --> 6-氟-4-三氟甲基喹啉-2-羧酸乙脂 --> 2-甲基-6-三氟甲基-4-羟基嘧啶 --> 2,6-双(三氟甲基)-4-羟基喹啉 --> 3-三氟甲基吡唑-4-羧酸乙酯 --> 3-羟基-1-甲基-5-三氟甲基-1H-吡唑 --> 2-溴-4-三氟甲基喹啉 --> 2-溴-6-氟-4-三氟甲基喹啉 --> 2-(三氟甲基)喹啉-4-醇 --> 3-氨基-4,4,4-三氟巴豆酸乙酯 --> 6-氟-4-羟基-2-(三氟甲基)喹啉 --> 4-三氟甲基-2-羟基喹啉 --> 噻呋酰胺 --> 香豆素 151 --> 6-氟-4-三氟甲
  • MOL 文件:372-31-6.mol
  • Acros Organics:4,4,4-三氟乙酰乙酸乙酯 Ethyl 4,4,4-trifluoroacetoacetate, 97%(372-31-6)
  • 溶于乙醇、醚、苯等溶剂。水中溶解度:10 g/l (20°C)。
  • 三氟乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称
  • Sigma Aldrich:372-31-6(sigmaaldrich)
  • Alfa Aesar:三氟乙酰乙酸乙酯,98+% Ethyl trifluoroacetoacetate, 98+%(372-31-6)
  • 上游原料:三氟乙酸
  • Hazard N
  • 用途二:用于农药中间体。

系列性分类


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