Ethyl Trifluoroacetate 三氟乙酸乙酯
CAS 383-63-1 MFCD00000419
化学结构图
SMILES: CCOC(=O)C(F)(F)F
化学属性
| Mol. Formula | C4H5F3O2 |
|---|---|
| Mol. Weight | 142.08 |
| Boiling Point | 62°C |
| TSCA | Yes |
| Refractive index | 1.3050 to 1.3100 |
| Density | 1.194 |
| Flash Point | -7°C(lit.) |
| Melting Point | No Data Available |
| Solubility | 水解 |
| Appearance | colorless liq. |
别名和识别编码
| Chemical Name | Ethyl Trifluoroacetate |
|---|---|
| CAS Number | 383-63-1 |
| Alfabeta Name | ETHYLTRIFLUOROACETATE |
| MDL Number | MFCD00000419 |
| Synonym | 2,2,2-TRIFLOUROETHYL ACETATE (TFAET) ETHYL 2,2,2-TRIFLUOROACETATE ETHYL TRIFLUOROACETATE ETHYL TRIFLUOROACETATE 98% (GC) Ethyl 2,2,2-trifluoroacetate Ethyl Trifluoroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| PubChem Substance ID | 9794 |
| EC Number | 206-851-6 |
| Beilstein Registry Number | 2(2)186 |
| Reaxys-RN | 1761411 |
| Chemical Name Translation | 三氟乙酸乙酯 |
| LabNetwork Molecule ID | LN00111123 |
| InChI | InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| Canonical SMILES | - |
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分类
- {uni_hamburg} no charge; ester; 1fragment
- Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {SNA} Building Blocks,
产品应用
- 用于医药，农药中间体，有机合成砌块
相关文献及参考
- Beilstein:2(2)186
- Reagent for selective trifluoroacetylation of amines. Primary amines can be protected in the presence of secondary, and diamines selectively monoprotected. Primary amines can also be differentiated in terms of steric hindrance: Tetrahedron Lett., 36, 7357 (1995).
- Short: II/14a
- Short: III/35B
- Esters of perfluoroalkyl carboxylic acids undergo Wittig reactions, for example with the ylide from (3-Phenylpropyl)triphenylphosphonium bromide, A12669, leading to 1-perfluoroalkyl enol ethers, which are useful precursors of various fluorinated derivatives: J. Org. Chem., 57, 3807 (1992); Org. Synth., 75, 153 (1997):
安全信息
GHS Symbol
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H318 Causes serious eye damage 严重伤害眼睛
- H302 Harmful if swallowed 吞食有害
- 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。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P305+P351+P338
- P303+P361+P353+P310+P363
- P405 Store locked up. 上锁保管。
- 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.....
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P303+P361+P353
- P233 Keep container tightly closed. ?保持容器密闭。
- P304+P340+P310
- P301+P330+P331+P310
- P403+P235
- P241+P242+P243
- P305+P351+P338+P310
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- S33 Take precautionary measures against static discharges 对静电采取预防措施；
- 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；
- 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；
- 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）；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
- R34 Causes burns 会导致灼伤
- R11 Highly flammable 非常易燃
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- 微溶于水,并水解，易溶于乙醇、乙醚，溶于大多数有机溶剂。
- 外观性质:无色液体，有酯香味。
- MOL 文件:383-63-1.mol
- 用途一:用作医药、农药中间体
- 检测方法:GC
- 用途三:用于医药，农药中间体，有机合成砌块
- TSCA:T
- 方法一:由三氟乙酸与乙醇酯化而得。将三氟乙酸冷却后，在搅拌下加入无水乙醇，反应放热，待停止放热后，慢慢加入浓硫酸。加热回流半小时后进行分馏，收集62-64℃馏分，即得三氟乙酸乙酯。收率94%。
- 存储注意事项:湿度敏感
- MSDS 信息:三氟乙酸乙酯(383-63-1).msds
- 图谱信息:三氟乙酸乙酯(383-63-1)核磁图( 13 CNMR) 三氟乙酸乙酯(383-63-1)核磁图( 1 HNMR) 三氟乙酸乙酯(383-63-1)质谱(MS) 三氟乙酸乙酯(383-63-1)红外图谱(IR1)
- TCI Shanghai:三氟乙酸乙酯 Ethyl Trifluoroacetate,>;99.0%(GC)(383-63-1)
- 用途二:用于有机合成。
- Acros Organics:三氟乙酸乙酯 Ethyl trifluoroacetate, 99%(383-63-1)
- Alfa Aesar:三氟乙酸乙酯,99% Ethyl trifluoroacetate, 99%(383-63-1)
- 敏感性:Moisture Sensitive
- 上游原料:三氟乙酸
- 下游产品:6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉盐酸盐 --> 六氟乙酰丙酮 --> 4-叔丁基-6-三氟甲基-2-嘧啶胺 --> 2-氨基-4-苯基-6-三氟甲基嘧啶 --> 三3-(三氟甲基羟基亚甲基)-D-樟脑 铕 --> 3-三氟乙酰基-D-樟脑 --> 依法韦仑 --> 苯甲酰三氟丙酮
- 三氟乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010169 三氟乙酸乙酯（TFAE） 25g 150元 2011/04/16 T0432 三氟乙酸乙酯 Ethyl Trifluoroacetate 25G 340元 2011/04/16 T0432 三氟乙酸乙酯 Ethyl Trifluoroacetate 500G 3180元
- Hazard Note:Flammable/Corrosive
- 海关编码:29159080
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