CAS: 959-33-1; 3-(4-Methoxyphenyl)-1-Phenylprop-2-En-1-One

• 英文名称3-(4-Methoxyphenyl)-1-Phenylprop-2-En-1-One
• 中文名称4-甲氧查尔酮
• IUPAC名称(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
• 其它别名2-(4-Methoxybenzal)Acetophenone; 2-Propen-1-One, 3-(4-Methoxyphenyl)-1-Phenyl-, (2E)-; Chalcone, 4; Trans-4-Methoxychalcone; 2-(4-Methoxybenzylidene)Acetophenone; P-Methoxyphenyl Styr
• CAS编号959-33-1
• MFCD编号:MFCD00017179
• EINECS号:213-499-7
• 分子式:C16H14O2
• 分子量:238.29
• 产品CID: 2014534
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: XUFXKBJMCRJATM-UHFFFAOYSA-N
• InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数4

物理性质

• 熔点73-76 °C
• 沸点340.88 °C at 760 mmHg
• 闪点180.4 °C
• 密度1.114 g/cm3
• PSA:26.3
• LogP:3.5913
• 折射率1.631
• 蒸汽压1.59E-08 mmHg at 25 °C
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态黄色结晶粉末
• 储存条件Store at room temperature
• 产品应用该化合物用于合成新颖的尼可辛尼西里-库马林混合体,作为潜在的乙酰胆碱酯酶抑制剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P280-P302+P352-P362+P364
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

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合成工艺路线路线简述

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