2,3,6-三氯萘 | 55720-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2,3,6-三氯萘
• 英文名称: 2,3,6-trichloronaphthalene
• 英文别名: 2,3,6-trichloro-naphthalene；2,3,6-Trichlor-naphthalin；2,3,6-Trichlornaphthalin
• CAS: 55720-40-6
• 化学式: C₁₀H₅Cl₃
• 分子量: 231.509
• InChiKey: ZYTLBFKRYKUCMJ-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C - 86 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 保留指数：
  1821.2

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,3,6-三氯萘 在 二硫化碳 、 chlorosulphuric acid 作用下， 生成 3,6,7-trichloro-naphthalene-1-sulfonic acid 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  43.衍生自四氯化二氯萘和三氯萘磺酸的四氯萘

  摘要：

  DOI：

  10.1039/jr9410000243
• 作为产物：
  描述：

  苯并[ghi]苝 在 copper(l) chloride 氧气 、 甲烷 作用下， 反应 2.0h， 生成 2,3,6-三氯萘
  参考文献：
  名称：

  De Novo Synthesis Mechanism of Polychlorinated Dibenzofurans from Polycyclic Aromatic Hydrocarbons and the Characteristic Isomers of Polychlorinated Naphthalenes

  摘要：

  Polychlorinated dibenzofurans (PCDFs) and polychlorinated naphthalenes (PCNs) are known to be emitted from municipal waste incinerators (MWIs) with polychlorinated dibenzo-p-dioxins (PCDDs). Two formation paths for PCDD/Fs could mainly work, which are condensation of the precursors such as chlorophenols and "de novo" formation from carbon. However the correlation between the chemical structure of carbon and the resulting PCDD/Fs still remains unknown. In this study, the PCDD/Fs formation from polycyclic aromatic hydrocarbons (PAHs) and CuCl was examined at 400 under 10% O-2. Coronene among the PAHs characteristically gave 1,2,8,9-T4CDF and the derivatives. These isomers clearly indicate that chlorination causes the cleavage of the C-C bonds in a coronene molecule and also that oxygen is easily incorporated from its outside to form 1,2,8,9-T4CDF. The symmetrical preformed structures in the coronene molecule enabled to amplify the de novo formation of the isomer. PCNs are also formed directly from these PAHs. Since there have been few reports on the formation mechanism of PCNs, this study will be a first step to know the whole formation paths. We also define the de novo synthesis as the breakdown reaction of a carbon matrix, since the word has been used without the precise definition.

  DOI：

  10.1021/es980857k

文献信息

• Analgesic carboxylic acid amide derivatives
  申请人：Sankyo Company Limited

  公开号：EP0356247A1

  公开（公告）日：1990-02-28

  Analgesic compounds are of the general formula (I): in which, R¹ and R² each represents hydrogen or C₁-C₆ alkyl, or R¹ and R² together with the nitrogen atom to which they are attached form a heterocycle; E represents methylene, sulphur, oxygen or imino group optionally substituted with C₁-C₆ alkyl or aralkyl; ring A is aryl or heteroaryl ring, optionally substituted; R³ is hydrogen or C₁-C₆ alkyl and R⁴ is hydrogen or R³ and R⁴ together represent a group of formula (IV): -(CRaRa)m-C(=Y)-      (IV) (wherein Ra and Ra is C₁-C₆ alkyl or hydrogen, up to a maximum of 3 alkyl groups, m is 1, 2, or 3, and Y is two hydrogens or oxygen); provided that when E represents a methylene group, then R³ is a C₁-C₆ alkyl group or R³ and R⁴ together represent a group of the formula (IV).

  镇痛化合物的通式为(I)： 其中，R¹ 和 R² 各自代表氢或 C₁-C₆烷基，或 R¹ 和 R² 与它们所连接的氮原子一起形成杂环；E 代表亚甲基、硫、氧或亚氨基，可选择被 C₁-C₆ 烷基或芳烷基取代；环 A 是任选被取代的芳基或杂芳基环；R³ 是氢或 C₁-C₆ 烷基，R⁴ 是氢或 R³ 和 R⁴ 共同代表式 (IV) 的基团： -(CRaRa)m-C(=Y)-(IV) (其中 Ra 和 Ra 是 C₁-C₆ 烷基或氢，最多 3 个烷基，m 是 1、2 或 3，Y 是两个氢或氧)；条件是当 E 代表亚甲基时，R³ 是 C₁-C₆ 烷基或 R³ 和 R⁴ 共同代表式(IV)的基团。
• Franzen; Staeuble, Journal fur praktische Chemie (Leipzig 1954), 1921, vol. <2> 103, p. 367
  作者：Franzen、Staeuble

  DOI：——

  日期：——
• Armstrong; Wynne, Chemical news and journal of industrial science, 1890, vol. 62, p. 163
  作者：Armstrong、Wynne

  DOI：——

  日期：——
• Armstrong; Wynne, Chemical news and journal of industrial science, 1890, vol. 61, p. 93
  作者：Armstrong、Wynne

  DOI：——

  日期：——
• Armstrong; Wynne, Chemical news and journal of industrial science, 1890, vol. 61, p. 273
  作者：Armstrong、Wynne

  DOI：——

  日期：——

表征谱图