1-氯-4-环己基-2-甲基-苯 | 873971-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氯-4-环己基-2-甲基-苯
• 英文名称: 1-chloro-4-cyclohexyl-2-methyl-benzene
• 英文别名: 1-Chlor-4-cyclohexyl-2-methyl-benzol；1-Chloro-4-cyclohexyl-2-methylbenzene；1-chloro-4-cyclohexyl-2-methylbenzene
• CAS: 873971-74-5
• 化学式: C₁₃H₁₇Cl
• 分子量: 208.731
• InChiKey: APCRKBHMCXCUAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  1-氯-4-环己基-2-甲基-苯 、 溶剂黄146 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-氯-3-甲基苯甲酸
  参考文献：
  名称：

  Pajeau, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1942, vol. 215, p. 578

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯甲苯 、 环己醇 在 硫酸 作用下， 生成 1-氯-4-环己基-2-甲基-苯
  参考文献：
  名称：

  Pajeau, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1942, vol. 215, p. 578

  摘要：

  DOI：

文献信息

• Cell and molecular biology of chemical allergy
  作者：Meryl H. Karol、Orest T. Macina、Albert Cunningham

  DOI：10.1016/s1081-1206(10)62337-x

  日期：2001.12

  Objective: The objective of this review is to provide current approaches to gain increased understanding of the molecular basis of chemical allergenicity. Chemical allergy refers to an allergic reaction to a Low molecular weight agent (ie, < 1 kD). The symptoms and pathology of chemical asthma resemble those of allergy to larger sized agents, such as pollens, weeds, and danders. The differences relate to mechanisms of disease. To stimulate an immune response, low molecular weight chemicals function as haptens and bind to carrier macromolecules. This article focuses on the chemical reactions and physicochemical characteristics of chemical allergens.Data Sources: Data were obtained from published clinical reports and from the Documentation of Threshold Limit Values (1998) published by the American Congress of Governmental Industrial Hygienists.Results: In vitro studies indicate the stoichiometric reaction of some chemical allergens with glutathione and the subsequent transfer of the allergen from glutathione to other nucleophiles. Computer-generated structure-activity relationship models have been developed for chemicals that induce respiratory allergy. The models, based on physicochemical properties of the agents, have high sensitivity and specificity.Conclusions: The structure-activity relationship model suggests that chemical binding is the essential feature of chemical allergens. Their in vivo reactions with thiols may result in glutathione deficiency with consequent alteration in cellular reduction-oxidation (redox) status, release of cytokines, and promotion of the T helper cell 2 phenotype. Prevention of permanent disease is dependent on periodic medical surveillance of affected workers. When detected early, the disease can frequently be reversed.
• Truffault; Monteils, Bulletin de la Societe Chimique de France, 1951, p. 97
  作者：Truffault、Monteils

  DOI：——

  日期：——
• Pajeau, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1942, vol. 215, p. 578
  作者：Pajeau

  DOI：——

  日期：——