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
SMILES: CCOC(=O)CC(=O)C(F)(F)F
化学属性
| Mol. Formula | C6H7F3O3 |
|---|---|
| Mol. Weight | 184.11 |
| Boiling Point | 129-130 °C at 760 mmHg |
| TSCA | T |
| Density | 1.259 |
| Refractive index | 1.3750 to 1.3780 |
| Flash Point | 39°C(lit.) |
| Melting Point | -39 °C |
| Solubility | 10 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 Name | Ethyl 4,4,4-Trifluoroacetoacetate |
|---|---|
| CAS Number | 372-31-6 |
| Alfabeta Name | ETHYLTRIFLUOROACETOACETATE 444-,, |
| MDL Number | MFCD00000424 |
| 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 Number | 206-750-7 |
| Beilstein Registry Number | 608353 |
| PubChem Substance ID | 67793 |
| Reaxys-RN | 608353 |
| Chemical Name Translation | 4,4,4-三氟乙酰乙酸乙酯 |
| InChIKey | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00139790 |
| InChI | InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3 |
| Canonical SMILES | O=C(OCC)CC(C(F)(F)F)=O |
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信息真实价格透明
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专业采购外包团队在线服务
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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。
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