Ethyl Trichloroacetate 三氯乙酸乙酯

CAS 515-84-4 MFCD00000795

化学结构图

515-84-4
SMILES: CCOC(=O)C(Cl)(Cl)Cl

化学属性

Mol. FormulaC4H5Cl3O2
Mol. Weight191.44
Refractive index1.4490 to 1.4520
Boiling Point167.8 °C at 760 mmHg
Density1.378
Flash Point65°C(lit.)
TSCAYes
Solubility不溶
Appearance 无色液体。沸点168℃，62℃（1.6kPa），相对密度1.3836（20/4℃），折光率1.4505。闪点65℃。能与乙醇、乙醚、苯混溶，不溶于水。有类似薄荷醇味。
Melting Point237 °C

别名和识别编码

Chemical NameEthyl Trichloroacetate
CAS Number515-84-4
PubChem Substance ID87577264
EC Number208-212-7
Beilstein Registry Number1761567
MDL NumberMFCD00000795
Reaxys-RN1761567
Merck Number9627
Synonym Ethyl 2,2,2-trichloroacetate {LY} Ethyl 2,2,2-trichloroacetate {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,2,2-trichloroacetate
Chemical Name Translation三氯乙酸乙酯
LabNetwork Molecule IDLN00241837
Canonical SMILESCCOC(=O)C(Cl)(Cl)Cl
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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

  • 有机合成。

相关文献及参考

  • Short: II/27B
  • In combination with triphenylphosphine, can be used for the conversion of allylic alcohols to the corresponding chlorides: Russ. J. Org. Chem., 31, 1019 (1995).
  • Merck: 14,9627 Beilstein:2(4)514
  • Convenient precursor of dichlorocarbene, by treatment with alkoxide: J. Org. Chem., 24, 1733 (1959); J. Am. Chem. Soc., 82, 4085 (1960). For practical details, see: Org. Synth. Coll., 5, 874 (1973); 6, 142 (1988):
  • Merck: 14,9627

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi Xi
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。
  • 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。
  • 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。
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • 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
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
UN Number 2810

其他信息

  • MSDS 信息:Ethyl trichloroacetate(515-84-4).msds
  • 图谱信息:三氯乙酸乙酯(515-84-4)核磁图( 13 CNMR) 三氯乙酸乙酯(515-84-4)质谱(MS) 三氯乙酸乙酯(515-84-4)红外图谱(IR1)
  • Alfa Aesar:三氯乙酸乙酯,97%,用环氧树脂做稳定剂 Ethyl trichloroacetate, 97%, stab. with epoxy resin(515-84-4)
  • 三氯乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1504 三氯乙酸乙酯 Ethyl Trichloroacetate 500G 934元 2014/06/02 T1504 三氯乙酸乙酯 Ethyl Trichloroacetate 25G 156元 2010/06/21 293040050 三氯乙酸乙酯 Ethyl trichloroacetate 97%, stabilized 5 GR 205元
  • 上游原料:乙酸 --> 三氯乙酸 --> 乙酸乙醇
  • Sigma Aldrich:515-84-4(sigmaaldrich)
  • MOL 文件:515-84-4.mol
  • 方法一:由三氯乙酸乙醇酯化而得。把三氯乙酸、无水乙醇和硫酸一起加热回流6h。冷却后倒入水中分出酯层，用5-10%的碳酸钠溶液中和，再用水洗涤，加无水氯化钙干燥过夜。过滤后进行蒸馏即得成品。收率75%。
  • Acros Organics:三氯乙酸乙酯 Ethyl trichloroacetate, stabilized, 97%(515-84-4)
  • TCI Shanghai:三氯乙酸乙酯 Ethyl Trichloroacetate,>;97.0%(GC)(515-84-4)
  • 有似薄荷醇气味。能与乙醇和乙醚混溶，不溶于水，对酸稳定，遇强碱分解,有刺激性
  • 用途一:用于有机合成，用作中沸点溶剂和香料的原料，也用作医药原料

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Ketones - Chemical Class
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  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. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters

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