Methyl 2,2,2-trifluoroacetate 三氟乙酸甲酯

CAS 431-47-0 MFCD00000417

化学结构图

431-47-0
SMILES: COC(=O)C(F)(F)F

化学属性

Mol. FormulaC3H3F3O2
Mol. Weight128.05
Refractive indexn20/D 1.291(lit.)
Boiling Point43-43.5°C
Density1.273
Flash Point-7.2 °C
TSCAYes
Melting Point-78 °C
Vapor Pressure5.77 psi ( 20 °C)
Solubility8 G/L
Appearance 无色液体。沸点43-43.5℃，相对密度1.273（20/4℃），折光率1.2907，闪点-7℃。溶于乙醇、乙醚，不溶于水。

别名和识别编码

Chemical NameMethyl 2,2,2-trifluoroacetate
CAS Number431-47-0
PubChem Substance ID9893
EC Number207-074-5
Beilstein Registry Number1756070
MDL NumberMFCD00000417
Reaxys-RN1756070
Synonym Methyl 2,2,2-trifluoroacetate {LY} Methyl 2,2,2-trifluoroacetate {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2,2,2-trifluoroacetate {} {} {} {} {} {} {} {} {}
Chemical Name Translation三氟乙酸甲酯
InChIKeyVMVNZNXAVJHNDJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00195716
InChIInChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
Canonical SMILESO=C(OC)C(F)(F)F
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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
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic 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

  • Short: III/35E
  • Useful reagent for trifluoroacetylation of amines under mild conditions. In the presence of 1,1,3,3-Tetramethyl­guanidine, A12314, has also been used for the N-acylation of amino acids: Synthesis, 399 (1976).
  • Beilstein:2(4)463
  • Short: II/14a

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
Hazard Codes 3 F,C
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P330+P331+P310
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Risk Statements
  • R11 Highly flammable 非常易燃
  • 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
UN Number 2924 UN2924
Storage condition -20°C {LY} -20°C 0-6°C Moisture Sensitive {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -2
Packing GroupII
Hazard Class3/8

其他信息

  • Acros Organics:三氟乙酸甲酯 Methyl trifluoroacetate, 99%(431-47-0)
  • F:19
  • MOL 文件:431-47-0.mol
  • 下游产品:
  • 溶于乙醇、乙醚，不溶于水。水中溶解度：0.8%。
  • 方法一:由三氟乙酸与甲醇酯化而得。将甲醇、三氟乙酸混合，添加浓硫酸，回流反应5h后进行高效分馏，收集50℃以前的馏分。再分馏一次，收集40-43℃馏分即为三氟乙酸甲酯。收率80%。
  • 用途一:用于有机合成。
  • Sigma Aldrich:431-47-0(sigmaaldrich)
  • TSCA:T
  • 蒸气压:5.77 psi ( 20 °C)
  • 用途二:用于医药，农药中间体，有机合成砌块。
  • 海关编码:29159080
  • Alfa Aesar:三氯乙酸甲酯,98+% Methyl trifluoroacetate, 98+%(431-47-0)
  • 三氟乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010155 三氟乙酸甲酯（TFAM） 100g 500元 2011/04/16 T0680 三氟乙酸甲酯 Methyl Trifluoroacetate 500G 4870元 2011/04/16 T0680 三氟乙酸甲酯 Methyl Trifluoroacetate 25G 592元
  • 上游原料:三氟乙酸
  • 图谱信息:三氟乙酸甲酯(431-47-0)核磁图( 1 HNMR) 三氟乙酸甲酯(431-47-0)质谱(MS) 三氟乙酸甲酯(431-47-0)红外图谱(IR1) 三氟乙酸甲酯(431-47-0)核磁图( 13 CNMR)
  • Hazard Note:Flammable/Corrosive
  • 敏感性:Moisture Sensitive
  • TCI Shanghai:三氟乙酸甲酯 Methyl Trifluoroacetate,>;98.0%(GC)(431-47-0)
  • MSDS 信息:Methyl trifluoroacetate(431-47-0).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  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. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63

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