3,3,3-三氯乳腈 | 513-96-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 中文名称: 3,3,3-三氯乳腈
• 中文别名: 3,3,3-三氯丙醇腈
• 英文名称: 3,3,3-trichloro-2-hydroxy-propionitrile
• 英文别名: Chloralcyanhydrin；Chloral cyanohydrin；3,3,3-trichloro-2-hydroxypropanenitrile
• CAS: 513-96-2
• 化学式: C₃H₂Cl₃NO
• 分子量: 174.414
• InChiKey: UFVLRHXFRXZBHS-UHFFFAOYSA-N

物化性质

• 熔点：
  61°C
• 沸点：
  91-94 °C(Press: 0.4 Torr)
• 密度：
  1.5338 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3,3,3-三氯乳腈 在 三乙胺 作用下， 以 乙醚 为溶剂， 生成 Chloralcyanhydrin-dichloressigsaeureester
  参考文献：
  名称：

  Roedig,A.; Hagedorn,F., Justus Liebigs Annalen der Chemie, 1965, vol. 683, p. 30 - 41

  摘要：

  DOI：
• 作为产物：
  描述：

  水合氯醛 、 氢氰酸 生成 3,3,3-三氯乳腈
  参考文献：
  名称：

  Pinner, Chemische Berichte, 1884, vol. 17, p. 1998

  摘要：

  DOI：

文献信息

• Certain cyclopropyl dicarboxylates having pesticidal and insecticidal
  申请人：Roussel Uclaf

  公开号：US04732903A1

  公开（公告）日：1988-03-22

  Novel isomers and mixtures thereof of cyclopropane carboxylic acid derivatives with a 3-unsaturated side chain of the formula ##STR1## wherein A' is selected from the group consisting of wherein B is selected from the group consisting of --CH.sub.2 --, ##STR2## --O-- and --S--, R.sub.4 is selected from the group consisting of hydrogen, --CH.sub.3,--C.tbd.N--CONH.sub.2, --CSNH.sub.2 and --C.tbd.CH, n is an integer from 0, 1 or 2 and R.sub.5 is selected from the group consisting of halogen and --CH.sub.3 ##STR3## wherein R.sub.13 is selected from the group consisting of hydrogen and ##STR4## wherein R.sub.13 has the above definition and the benzoyl is in the 3- or 4-position, ##STR5## wherein R.sub.14 is selected from the group consisting of hydrogen, methyl, ethynyl and --CN and R.sub.15 and R.sub.16 are individually selected from the group consisting of hydrogen, bromine and fluorine and ##STR6## wherein R.sub.14 has the above definition, p is 0, 1 or 2, each R.sub.17 is selected from the group consisting of alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, alkylthio of 1 to 4 carbon atoms, alkylsulfonyl of 1 to 4 carbon atoms, --CF.sub.3, 3,4-methylenedioxy, chlorine, bromine and fluorine B' is selected from the group consisting of --O-- and --S-- and R is selected from the group consisting of alkyl of 1 to 18 carbon atoms substituted with one or more, optionally different functional groups, aryl of 6 to 14 carbon atoms optionally substituted with one or more optionally different functional groups, the double bond having Z or E geometry having insecticidal and nematocidal activity as well as plant and animal acaricidal activity and their preparation.

  环丙烷羧酸衍生物的新异构体和混合物，其具有式（I）的3-不饱和侧链，其中A'选择自下列组中的一种：其中B选择自下列组中的一种：--CH.sub.2 --，##STR2## --O--和--S--，R.sub.4选择自下列组中的一种：氢，--CH.sub.3，--C.tbd.N--CONH.sub.2，--CSNH.sub.2和--C.tbd.CH，n为0、1或2的整数，R.sub.5选择自下列组中的一种：卤素和--CH.sub.3 ##STR3##其中R.sub.13选择自下列组中的一种：氢和##STR4##其中R.sub.13具有上述定义，苯甲酰在3-或4-位，##STR5##其中R.sub.14选择自下列组中的一种：氢，甲基，乙炔基和--CN，R.sub.15和R.sub.16分别选择自下列组中的一种：氢、溴和氟，以及##STR6##其中R.sub.14具有上述定义，p为0、1或2，每个R.sub.17选择自下列组中的一种：1至4个碳原子的烷基，1至4个碳原子的烷氧基，1至4个碳原子的烷硫基，1至4个碳原子的烷基磺酰基，--CF.sub.3，3,4-亚甲二氧基，氯，溴和氟，B'选择自下列组中的一种：--O--和--S--，R选择自下列组中的一种：带有一个或多个、可选择不同的官能团的1至18个碳原子的烷基，6至14个碳原子的芳基，可选择不同的官能团进行取代，双键具有Z或E几何构型，具有杀虫、杀线虫活性以及植物和动物螨虫活性，以及它们的制备。
• Insecticidal cyclopropane carboxylic acid derivatives with
  申请人：Roussel Uclaf

  公开号：US04542142A1

  公开（公告）日：1985-09-17

  Novel isomers and mixtures thereof of cyclopropane carboxylic acid derivatives with a 3-unsaturated side chain of the formula ##STR1## The double bond having Z or E geometry and having insecticidal and nematocidal activity as well as plant and animal acaricidal activity.

  环丙烷羧酸衍生物的新异构体和混合物，其侧链为式子##STR1##的3-不饱和链，双键具有Z或E几何结构，具有杀虫和杀线虫活性，以及植物和动物的螨虫活性。
• Certain cyclopropanedicarboxylates with an unsaturated side chain having
  申请人：Roussel Uclaf

  公开号：US04883806A1

  公开（公告）日：1989-11-28

  Novel isomers and mixtures thereof of cyclopropane carboxylic acid derivatives with a 3-unsaturated side chain of the formula ##STR1## wherein A' is selected from the group consisting of (1) alkyl of 1 to 18 carbon atoms, (2) benzyl optionally substituted with at least one member of the group consisting of alkyl of 1 to 4 carbon atoms, alkenyl of 2 to 6 carbon atoms, alkenyloxy of 2 to 6 carbon atoms, alkadienyl of 4 to 8 carbon atoms, methylenedioxy or halogen, ##STR2## wherein R.sub.1 is selected from the group consisting of hydrogen and methyl and R.sub.2 is selected from the group consisting of --CH.sub.2 --C.tbd.CH and monocyclic aryl, ##STR3## wherein a is selected from the group consisting of hydrogen and methyl and R.sub.3 is an aliphatic group of 2 to 6 carbon atoms containing at least one carbon-carbon unsaturation ##STR4## wherein a and and R.sub.3 have the above definition and R.sub.1 ' and R.sub.2 ' are individually selected from the group consisting of hydrogen, halogen, alkyl of 1 to 6 carbon atoms, aryl of 6 to 10 carbon atoms, cyano and alkoxy carbonyl of 2 to 5 carbon atoms, (6) ##STR5## wherein B is selected from the group consisting of ##STR6## --O-- and --S--, R.sub.4 is selected from the group consisting of hydrogen, --CH.sub.3, --C.tbd.N--CONH.sub.2, --CSNH.sub.2 and --C.tbd.CH, n is an integer form 0, 1 or 2 and R.sub.5 is selected from the group consisting of halogen and --CH.sub.3 ##STR7## wherein R.sub.6, R.sub.7 , R.sub.8 and R.sub.9 are selected from the group consisting of hydrogen, chlorine and methyl and S/I symbolizes an aromatic ring or dihydro or tetrahydro ring, ##STR8## wherein R.sub.10 is selected from the group consisting of hydrogen and --CN, R.sub.12 is selected from the group consisting of --CH.sub.2 -- and --O-- and R.sub.11 is selected from the group consisting of thiazolyl and thiadiazolyl with the bond the bond to ##STR9## being in anyone of the positions, R.sub.12 being bonded to R.sub.11 by the carbon atom included between a sulfur atom and a nitrogen atom, ##STR10## wherein R.sub.13 is selected from the group consisting of hydrogen and --CN ##STR11## wherein R.sub.13 has the above definition and the benzoyl is in the 3- or 4-position; ##STR12## wherein R.sub.14 is; selected from the group consisting of hydrogen, methyl, ethynyl and --CN and R.sub.15 and R.sub.16 are individually selected from the group consisting of hydrogen, bromine and fluorine and ##STR13## wherein R.sub.14 has the above definition, p is 0, 1 or 2, each R.sub.17 is selected from the group consisting of alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, alkylthio of 1 to 4 carbon atoms, alkylsulfonyl of 1 to 4 carbon atoms, --CF.sub.3 3,4-methylenedioxy, chlorine, bromine and fluorine, B is selected from the group consisting of --O-- and --S-- and R is selected from the group consisting of alkyl of 1 to 18 carbon atoms substituted with one or more, optionally different functional groups, aryl of 6 to 14 carbon atoms optionally substituted with one or more optionally different functional groups, the double bond having Z or E geometry having insecticidal and nematocidal activity as well as plant and animal acaricidal activity and their preparation.

  环丙烷羧酸衍生物的新异构体和混合物，其具有式子##STR1##中的3-不饱和侧链，其中A'从以下组中选择：(1)1到18个碳原子的烷基，(2)苄基，可选择性地被1到4个碳原子的烷基，2到6个碳原子的烯基，2到6个碳原子的烯氧基，4到8个碳原子的烯二烯基，亚甲二氧基或卤素取代，##STR2##其中R.sub.1从氢和甲基的组中选择，R.sub.2从--CH.sub.2--C.tbd.CH和单环芳基的组中选择，##STR3##其中a从氢和甲基的组中选择，R.sub.3是一个含有至少一个碳-碳不饱和度的2到6个碳原子的脂肪基，##STR4##其中a和R.sub.3具有上述定义，R.sub.1'和R.sub.2'分别从氢，卤素，1到6个碳原子的烷基，6到10个碳原子的芳基，氰基和2到5个碳原子的烷氧基卡宾酰的组中选择，(6)##STR5##其中B从以下组中选择：##STR6##--O--和--S--，R.sub.4从氢，--CH.sub.3，--C.tbd.N--CONH.sub.2，--CSNH.sub.2和--C.tbd.CH的组中选择，n是0、1或2的整数，R.sub.5从卤素和--CH.sub.3的组中选择，##STR7##其中R.sub.6，R.sub.7，R.sub.8和R.sub.9从氢，氯和甲基的组中选择，S/I表示芳环或二氢或四氢环，##STR8##其中R.sub.10从氢和--CN的组中选择，R.sub.12从--CH.sub.2--和--O--的组中选择，R.sub.11从噻唑基和噻二唑基的组中选择，键与##STR9##中的任何一个位置相连，R.sub.12通过硫原子和氮原子之间包括的碳原子与R.sub.11相连，##STR10##其中R.sub.13从氢和--CN的组中选择，##STR11##其中R.sub.13具有上述定义，并且苯甲酰在3-或4-位置上；##STR12##其中R.sub.14从氢，甲基，乙炔基和--CN的组中选择，R.sub.15和R.sub.16分别从氢，溴和氟的组中选择，##STR13##其中R.sub.14具有上述定义，p为0、1或2，每个R.sub.17从1到4个碳原子的烷基，1到4个碳原子的烷氧基，1到4个碳原子的烷硫基，1到4个碳原子的烷基磺酰基，--CF.sub.3，3,4-亚甲二氧基，氯，溴和氟的组中选择，B从--O--和--S--的组中选择，R从1到18个碳原子的烷基中选择，被一个或多个，可选不同的官能团置换，6到14个碳原子的芳基，可选不同的官能团置换，双键具有映构体Z或E几何构型，具有杀虫和杀线虫活性以及植物和动物螨虫活性，以及它们的制备。
• Behrend; Koelln, Justus Liebigs Annalen der Chemie, 1918, vol. 416, p. 232
  作者：Behrend、Koelln

  DOI：——

  日期：——
• �ber einige Kondensationsversuche der Cyanhydrine des Chlorals und Acetaldehyds mit aromatischen Verbindungen
  作者：A. Chwala、H. Wassmuth

  DOI：10.1007/bf00899324

  日期：——