2,4,6-三氯-3-乙基-5-甲基苯酚 | 15460-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,4,6-三氯-3-乙基-5-甲基苯酚
• 英文名称: 2,4,6-Trichlor-3-methyl-5-ethylphenol
• 英文别名: 3-Ethyl-5-methyl-2,4,6-trichlor-phenol；3-ethyl-5-methyl-2,4,6-trichlorophenol；2,4,6-Trichloro-3-ethyl-5-methylphenol
• CAS: 15460-04-5
• 化学式: C₉H₉Cl₃O
• 分子量: 239.529
• InChiKey: RXOQFAHAWHYIOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  289.4±35.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2908199090

反应信息

• 作为反应物：
  描述：

  甲基 4-氯-3,5-二硝基苯酸 、 2,4,6-三氯-3-乙基-5-甲基苯酚 生成 2,4,6-Trichlor-3-aethyl-5-methyl-4'-methoxycarbonyl-2',6'-dinitro-diphenylaether
  参考文献：
  名称：

  Neville,G.A.; Moir,R.Y., Canadian Journal of Chemistry, 1969, vol. 47, p. 2787 - 2795

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-5-乙基苯酚 在 氯 作用下， 生成 2,4,6-三氯-3-乙基-5-甲基苯酚
  参考文献：
  名称：

  Gaseous chlorine action on solid-state phenols

  摘要：

  DOI：

  10.1021/jo00925a031

文献信息

• APPLICATION OF MANNICH BASE IN FLAME-RETARDANT POLYURETHANE MATERIAL
  申请人：Jiahua Science & Technology Development (Shanghai) Ltd.

  公开号：US20200283562A1

  公开（公告）日：2020-09-10

  Application of a Mannich base in a flame-retardant polyurethane material is provided. The Mannich base has a structure represented by a formula (I). In the Mannich base, flame-retardant groups, i.e., halogens are introduced at the second, fourth and sixth positions of a phenyl group, and flame-retardant elements, i.e., halogens and nitrogen are introduced into synthesized polyether polyol, giving the synthesized polyether polyol good flame retardance. The amount of active hydrogen in the Mannich base is small so that occurrence of side reactions during the synthesis of the polyether polyol is reduced, and the viscosity of the flame-retardant polyether polyol is lowered. Due to autocatalytic performance of tertiary amido in the flame-retardant polyether polyol, use of a catalyst can be reduced and even avoided during the synthesis. A preparation method of the Mannich base is also provided.
• FLAME-RETARDANT POLYETHER POLYOL AS WELL AS PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Jiahua Science & Technology Development (Shanghai) Ltd.

  公开号：US20200283573A1

  公开（公告）日：2020-09-10

  A flame-retardant polyether polyol is provided, including a Mannich base and an epoxide. The epoxide is selected from ethylene oxide, propylene oxide and butylene oxide. The Mannich base has a structure represented by a formula (I). In the Mannich base, flame-retardant groups, i.e., halogens are introduced at the second, fourth and sixth positions of a phenyl group, and flame-retardant elements, i.e., halogens and nitrogen are introduced into synthesized polyether polyol. The amount of active hydrogen in the Mannich base is small so that side reactions during synthesis of the polyether polyol are reduced, and the viscosity of the polyether polyol is lowered. A flame-retardant polyurethane material is also provided, synthesized from raw materials comprising the above-mentioned flame-retardant polyether polyol and an isocyanate. Due to autocatalytic performance of tertiary amido in the flame-retardant polyether polyol, use of a catalyst can be reduced and even avoided during the synthesis.
• Neville,G.A.; Moir,R.Y., Canadian Journal of Chemistry, 1969, vol. 47, p. 2787 - 2795
  作者：Neville,G.A.、Moir,R.Y.

  DOI：——

  日期：——
• Gaseous chlorine action on solid-state phenols
  作者：Roger Lamartine、Robert Perrin

  DOI：10.1021/jo00925a031

  日期：1974.6