4-三氟甲基苯-1-甲脒盐酸盐 | 175278-62-3

• 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: 4-三氟甲基苯-1-甲脒盐酸盐
• 中文别名: 盐酸-4-(三氟甲氧基)苯甲脒二水；4-(三氟甲基)苯甲酰胺盐酸盐二水合物
• 英文名称: 4-(Trifluoromethyl)benzamidine hydrochloride dihydrate
• 英文别名: 4-(trifluoromethyl)benzenecarboximidamide;dihydrate;hydrochloride
• CAS: 175278-62-3
• 化学式: C8H12ClF3N2O2
• mdl: MFCD00122370
• 分子量: 260.64
• InChiKey: ZFGZRQQZWBYRRB-UHFFFAOYSA-N

物化性质

• 熔点：
  158 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  53.6
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  29252900,2925290090
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  4-三氟甲基苯-1-甲脒盐酸盐 、 二氯甲烷 、 trichloromethyl mercaptan 、 sodium hydroxide 在 苄基三乙基氯化铵 碳酸氢钠 、 magnesium sulfate 、 crude material 、 正己烷 作用下， 以 水 为溶剂， 反应 16.0h， 以to afford 3.7 g of the title compound of Step H as a white powder的产率得到5-chloro-3-(4-trifluoromethylphenyl)-1,2,4-thiadiazole
  参考文献：
  名称：

  Heterocyclic dihydrazole compounds and their use for controlling fungal

  摘要：

  本发明涉及公式I及其N-氧化物和农业适用的盐的化合物，其可用作杀菌剂。在公式中，E是选自某些5-至12-成员单环和融合双环芳香杂环环系或根据公开说明定义的可选取代萘环的环系；A是O；S；N；NR.sup.5；或CR.sup.14；G是C或N；当G为C时，A为O、S或NR.sup.5，浮动双键连接到G；当G为N时，A为N或CR.sup.14，浮动双键连接到A；W是O；S；NH；N(C.sub.1-C.sub.6烷基)；或NO(C.sub.1-C.sub.6烷基)；X是OR.sup.1；S(O).sub.mR.sup.1；或卤素；R.sup.1是C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；或C.sub.2-C.sub.4烷氧羰基；R.sup.2是H；C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；C.sub.2-C.sub.4烷氧羰基；羟基；C.sub.1-C.sub.2烷氧基；或乙酰氧基；R.sup.5是H；C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；或C.sub.2-C.sub.4烷氧羰基；Y、Z、R.sup.14和m如公开说明所定义。还公开了含有公式I化合物的组合物以及一种控制由真菌植物病原体引起的植物病害的方法，该方法涉及施用公式I化合物的有效量。

  公开号：

  US06096895A1

文献信息

• Substituted pyrimidine and pyridine herbicides
  申请人：——

  公开号：US20040033896A1

  公开（公告）日：2004-02-19

  Compounds of formula (I), and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation, wherein J is (J-1), (J-2), (J-3), (J-4), (J-5), (J-6) or (J-7); and J, W, X, Y, Z, A, R<1>-R<8> are as defined in the disclosure. Also disclosed are compositions containing the compounds of formula (I) and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of formula (I).

  公开了式（I）的化合物及其N-氧化物和适用于农业的盐，用于控制不良植被，其中J为（J-1）、（J-2）、（J-3）、（J-4）、（J-5）、（J-6）或（J-7）；J、W、X、Y、Z、A、R <1> -R <8> 的定义如说明书所述。还公开了含有式（I）的化合物的组合物以及用于控制不良植被的方法，该方法涉及将式（I）的化合物与植被或其环境接触的有效量。
• PESTICIDAL COMPOSITIONS
  申请人：Crouse Gary D.

  公开号：US20120172218A1

  公开（公告）日：2012-07-05

  The invention disclosed in this document is related to the field of pesticides and their use in controlling pests. A compound having the following structure is disclosed.

  本文件所披露的发明涉及杀虫剂及其在控制害虫方面的应用领域。其中披露了一种具有以下结构的化合物。
• Pesticidal compositions
  申请人：Dow AgroSciences, LLC

  公开号：US08178658B2

  公开（公告）日：2012-05-15

  The invention disclosed in this document is related to the field of pesticides and their use in controlling pests. A compound having the following structure is disclosed.

  本文件所披露的发明涉及杀虫剂及其在控制害虫方面的应用领域。该文件披露了一种具有以下结构的化合物。
• Heterocyclic dihydrazole compounds and their use for controlling fungal
  申请人：E. I. du Pont de Nemours and Company

  公开号：US06096895A1

  公开（公告）日：2000-08-01

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful as fungicides ##STR1## In said formula, E is a ring system selected from certain 5- to 12-membered monocyclic and fused bicyclic aromatic heterocyclic ring systems, or an optionally substituted naphthalene ring as defined in the disclosure; A is O; S; N; NR.sup.5 ; or CR.sup.14 ; G is C or N; provided that when G is C, then A is O, S or NR.sup.5 and the floating double bond is attached to G; and when G is N, then A is N or CR.sup.14 and the floating double bond is attached to A; W is O; S; NH; N(C.sub.1 -C.sub.6 alkyl); or NO(C.sub.1 -C.sub.6 alkyl); X is OR.sup.1 ; S(O).sub.m R.sup.1 ; or halogen; R.sup.1 is C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; or C.sub.2 -C.sub.4 alkoxycarbonyl; R.sup.2 is H; C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; C.sub.2 -C.sub.4 alkoxycarbonyl; hydroxy; C.sub.1 -C.sub.2 alkoxy; or acetyloxy; R.sup.5 is H; C.sub.1 -C.sub.6 alkyl; C.sub.1 -C.sub.6 haloalkyl; C.sub.2 -C.sub.6 alkenyl; C.sub.2 -C.sub.6 haloalkenyl; C.sub.2 -C.sub.6 alkynyl; C.sub.2 -C.sub.6 haloalkynyl; C.sub.3 -C.sub.6 cycloalkyl; C.sub.2 -C.sub.4 alkylcarbonyl; or C.sub.2 -C.sub.4 alkoxycarbonyl; and Y, Z, R.sup.14 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula I.

  本发明涉及公式I及其N-氧化物和农业适用的盐的化合物，其可用作杀菌剂。在公式中，E是选自某些5-至12-成员单环和融合双环芳香杂环环系或根据公开说明定义的可选取代萘环的环系；A是O；S；N；NR.sup.5；或CR.sup.14；G是C或N；当G为C时，A为O、S或NR.sup.5，浮动双键连接到G；当G为N时，A为N或CR.sup.14，浮动双键连接到A；W是O；S；NH；N(C.sub.1-C.sub.6烷基)；或NO(C.sub.1-C.sub.6烷基)；X是OR.sup.1；S(O).sub.mR.sup.1；或卤素；R.sup.1是C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；或C.sub.2-C.sub.4烷氧羰基；R.sup.2是H；C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；C.sub.2-C.sub.4烷氧羰基；羟基；C.sub.1-C.sub.2烷氧基；或乙酰氧基；R.sup.5是H；C.sub.1-C.sub.6烷基；C.sub.1-C.sub.6卤代烷基；C.sub.2-C.sub.6烯基；C.sub.2-C.sub.6卤代烯基；C.sub.2-C.sub.6炔基；C.sub.2-C.sub.6卤代炔基；C.sub.3-C.sub.6环烷基；C.sub.2-C.sub.4烷基羰基；或C.sub.2-C.sub.4烷氧羰基；Y、Z、R.sup.14和m如公开说明所定义。还公开了含有公式I化合物的组合物以及一种控制由真菌植物病原体引起的植物病害的方法，该方法涉及施用公式I化合物的有效量。