1,2,3,4,9,9-六氯-1,4,4a,8a-四氢-1,4-甲烷萘-5,8-二酮 | 2591-92-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2,3,4,9,9-六氯-1,4,4a,8a-四氢-1,4-甲烷萘-5,8-二酮
• 英文名称: 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-dione
• 英文别名: 1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
• CAS: 2591-92-6
• 化学式: C₁₁H₄Cl₆O₂
• 分子量: 380.87
• InChiKey: NLQWHIOPRSWUAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1,2,3,4,9,9-六氯-1,4,4a,8a-四氢-1,4-甲烷萘-5,8-二酮 生成 1,2,4,5,5,6-hexachloro-octahydro-1,6;2,4-dicyclo-cyclobut[f]indene-3,7-dione
  参考文献：
  名称：

  MARCHAND, A. P.;LAROE, W. D.;SHARMA, G. V. MADHAVA;SURI, S. C.;REDDY, D. +, J. ORG. CHEM., 1986, 51, N 9, 1622-1625

  摘要：

  DOI：
• 作为产物：
  描述：

  六氯环戊二烯 、 对苯醌 、 在 乙醇 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 1,2,3,4,9,9-六氯-1,4,4a,8a-四氢-1,4-甲烷萘-5,8-二酮
  参考文献：
  名称：

  1,2,3,4,9,9-Hexachloro-1,4-dihydro-8-hydroxy(alkoxy)-1,4

  摘要：

  一种阻燃系统，包括具有其结构内的1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮或1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二氧核或能够转化为1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮核并且不需要添加金属氧化物来发挥其功能的化合物。

  公开号：

  US04080408A1

文献信息

• Molecular complexes of DMSQ
  申请人：Uniroyal Inc.

  公开号：US03932525A1

  公开（公告）日：1976-01-13

  The known compound, 1,2,3,4,9,9-hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diol (I) is an excellent flame retardant for ABS resins and polyurethanes, particularly, polyether-based polyurethanes. Compound (I) also forms novel molecular complexes with weak bases such as pyridine, pyridine HCl, pyridine oxide, dimethylsulfoxide and dimethylformamide, and which are excellent flame retardants for ABS resins. Compound (I) also exhibits unusual synergistic flame retardant effects in ABS resins and other polymers when used together with certain additives that are not themselves flame retardants.

  已知化合物1,2,3,4,9,9-六氯-1,4-二氢-1,4-甲基萘-5,8-二酚(I)是ABS树脂和聚氨酯的优秀阻燃剂，特别是基于聚醚的聚氨酯。化合物(I)还与弱碱如吡啶、吡啶HCl、吡啶氧化物、二甲基亚砜和二甲基甲酰胺形成新型分子复合物，这些复合物对ABS树脂也是优秀的阻燃剂。化合物(I)还在与某些不具有阻燃作用的添加剂一起使用时，在ABS树脂和其他聚合物中表现出不同寻常的协同阻燃效果。
• Carbamate
  申请人：Uniroyal, Inc.

  公开号：US04174457A1

  公开（公告）日：1979-11-13

  A fire retardant system comprising a compound having within its structure the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione or 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanophthalene-5,8-dioxy nucleus or a compound which is capable of being converted to the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione nucleus and requires no metal oxide addition to exert its function.

  一种阻燃系统，包括一种化合物，在其结构中具有1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮或1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二氧核，或者一种能够转化为1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮核且不需要添加金属氧化物即可发挥其功能的化合物。
• Hexahalo-1,4-dihydro-1,4-methano-napth-5,8-ylene acetates
  申请人：Uniroyal, Inc.

  公开号：US04009200A1

  公开（公告）日：1977-02-22

  A fire retardant system comprising a compound having within its structure the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione or 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dioxy nucleus or a compound which is capable of being converted to the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione nucleus and requires no metal oxide addition to exert is function.

  一种阻燃系统，包括一种化合物，其结构中含有1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮或1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二氧核或一种可转化为1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮核的化合物，并且不需要添加金属氧化物即可发挥其功能。
• 1,2,3,4,9,9-Hexachloro-1,4-dihydro-8-hydroxy(alkoxy)-1,4
  申请人：Uniroyal, Inc.

  公开号：US04080408A1

  公开（公告）日：1978-03-21

  A fire retardant system comprising a compound having within its structure the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione or 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dioxy nucleus or a compound which is capable of being converted to the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione nucleus and requires no metal oxide addition to exert its function.

  一种阻燃系统，包括具有其结构内的1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮或1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二氧核或能够转化为1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮核并且不需要添加金属氧化物来发挥其功能的化合物。
• Hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-diol phenylsulfones
  申请人：Uniroyal, Inc.

  公开号：US04058568A1

  公开（公告）日：1977-11-15

  A fire retardant system comprising a compound having within its structure the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione or 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dioxy nucleus or a compound which is capable of being converted to the 1,2,3,4,9,9-hexahalo-1,4-dihydro-1,4-methanonaphthalene-5,8-dione nucleus and requires no metal oxide addition to exert its function.

  一种防火系统，包括一种化合物，其结构中含有1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮或1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二氧核或一种能够转化为1,2,3,4,9,9-六卤代-1,4-二氢-1,4-甲基萘-5,8-二酮核且不需要金属氧化物添加即可发挥其功能的化合物。