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


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