5-(三氟甲基)苯并-[2.1.3]-噻二唑 | 17754-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 中文名称: 5-(三氟甲基)苯并-[2.1.3]-噻二唑
• 英文名称: 5-(Trifluoromethyl)-2,1,3-benzothiadiazole
• CAS: 17754-05-1
• 化学式: C₇H₃F₃N₂S
• mdl: MFCD00114584
• 分子量: 204.17
• InChiKey: KUFWKXPZEWUROO-UHFFFAOYSA-N

物化性质

• 熔点：
  36 °C
• 沸点：
  100 °C
• 密度：
  1.535±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

文献信息

• Compound and electronic device
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US10777746B2

  公开（公告）日：2020-09-15

  Compound comprising structural units represented by formula (1) and formula (2): wherein X1, X2, X3 and X4 are the same or mutually different and represent a nitrogen atom or ═CH—; Y1 and Y2 are the same or mutually different and represent a sulfur atom, an oxygen atom, a selenium atom, —N(R1)— or —CR2═CR3—; R1, R2 and R3 are the same or mutually different and represent a hydrogen atom, a halogen atom, an amino group, a cyano group or a monovalent organic group; W1 and W3 are the same or mutually different and represent a halogen atom, a cyano group or a monovalent organic group; W2 and W4 are the same or mutually different and represent a hydrogen atom, a halogen atom, a cyano group or a monovalent organic group. The structural unit represented by formula (1) and the structural unit represented by formula (2) are not the same.

  由式（1）和式（2）代表的结构单元组成的化合物： 其中X1、X2、X3和X4相同或互异，代表氮原子或═CH-；Y1和Y2相同或互异，代表硫原子、氧原子、硒原子、-N(R1)-或-CR2═CR3-；R1、R2和R3相同或互异，代表氢原子、卤素原子、氨基、氰基或一价有机基团；W1 和 W3 相同或互异，代表卤原子、氰基或一价有机基团； W2 和 W4 相同或互异，代表氢原子、卤原子、氰基或一价有机基团。式 (1) 所代表的结构单元与式 (2) 所代表的结构单元不相同。
• POLYMER COMPOUND
  申请人：Yoshimura Ken

  公开号：US20130026459A1

  公开（公告）日：2013-01-31

  A photoelectric conversion device that contains a polymer compound having a structural unit represented by formula (1) has high photoelectric conversion efficiency. (wherein, X 1 and X 2 are the same or different and represent a nitrogen atom or ═CH—. Y 1 represents a sulfur atom, an oxygen atom, a selenium atom, —N(R 1 )— or —CR 2 ═CR 3 —. R 1 , R 2 and R 3 are the same or different and represent a hydrogen atom or a substituent. W 1 represents a cyano group, a monovalent organic group having a fluorine atom or a halogen atom. W 2 represents a cyano group, a monovalent organic group having a fluorine atom, a halogen atom or a hydrogen atom.)
• COMPOUND AND ELECTRONIC DEVICE
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160329495A1

  公开（公告）日：2016-11-10

  Compound comprising structural units represented by formula (1) and formula (2): wherein X 1 , X 2 , X 3 and X 4 are the same or mutually different and represent a nitrogen atom or ═CH—; Y 1 and Y 2 are the same or mutually different and represent a sulfur atom, an oxygen atom, a selenium atom, —N(R 1 )— or —CR 2 ═CR 3 —; R 1 , R 2 and R 3 are the same or mutually different and represent a hydrogen atom, a halogen atom, an amino group, a cyano group or a monovalent organic group; W 1 and W 3 are the same or mutually different and represent a halogen atom, a cyano group or a monovalent organic group; W 2 and W 4 are the same or mutually different and represent a hydrogen atom, a halogen atom, a cyano group or a monovalent organic group. The structural unit represented by formula (1) and the structural unit represented by formula (2) are not the same.
• US9601695B2
  申请人：——

  公开号：US9601695B2

  公开（公告）日：2017-03-21