Methyl phenylpropiolate 苯丙炔酸甲酯

CAS 4891-38-7 MFCD00041685

化学结构图

4891-38-7
SMILES: COC(=O)C#Cc1ccccc1

化学属性

Mol. FormulaC10H8O2
Mol. Weight160.17
Density1.086 g/mL at 25 °C(lit.)
Boiling Point109-112 °C at 2 mmHg
Refractive indexn20/D 1.5590(lit.)
Flash Point110°C
TSCANo
Melting Point26 °C

别名和识别编码

Chemical Namemethyl 3-phenylprop-2-ynoate
MDL NumberMFCD00041685
PubChem Substance ID138378
CAS Number4891-38-7
Reaxys-RN472813
Beilstein Registry Number9(4)2328
Synonym Methyl 3-phenylpropiolate {LY} Methyl 3-phenylpropiolate {} {LY} Methyl 3-phenylpropiolate {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-phenylpropiolate {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation苯丙炔酸甲酯
InChIKeyJFGWPXKGINUNDH-UHFFFAOYSA-N
LabNetwork Molecule IDLN01743262
Canonical SMILESO=C(OC)C#CC1=CC=CC=C1
InChIInChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3
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分类

  • Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: II/27B
  • Short: IV/8A
  • Undergoes conjugate addition with the anion of benzaldoxime as an example of a route to ß -dicarbonyl compounds: J. Org. Chem., 59, 1219 (1994):

安全信息

WGK Germany3
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xi
GHS Symbol
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning {} {} {} {} {} {TCI}
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

其他信息

  • MOL 文件:4891-38-7.mol
  • Acros Organics:苯丙炔酸甲酯 Methyl phenylpropiolate, 98%(4891-38-7)
  • Sigma Aldrich:4891-38-7(sigmaaldrich)
  • 苯丙炔酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M2080 苯丙炔酸甲酯 Methyl Phenylpropiolate 25G 2020元 2014/06/02 M2080 苯丙炔酸甲酯 Methyl Phenylpropiolate 5G 584元 2010/06/21 334590250 苯丙炔酸甲酯 Methyl phenylpropiolate 98% 25 GR 3233元
  • Alfa Aesar:苯丙酸甲酯,98+% Methyl phenylpropiolate, 98+%(4891-38-7)

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. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters

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