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61432-55-1

61432-55-1结构式
61432-55-1结构式
  • 常用中文名:哌草丹
  • 常用英文名:Dimepiperate
  • CAS号:61432-55-1
  • 分子式:C15H21NOS
  • 分子量:263.40
  • 相关类别: 化学农药原药 除草剂 其他除草剂
  • 发布时间:2018-09-30 19:02:23
  • 更新时间:2024-01-10 18:03:13
  • 二哌拉酯(93年款)是一种硫代氨基甲酸酯(TC)农药。二甲基哌嗪对ABHD6具有潜在的脱靶抑制作用[1]。

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中文名 哌草丹
英文名 Dimepiperate
中文别名 哌啶酯
优克稗
S-1-甲基-苯基乙基哌啶-1-硫代甲酸酯
S-(1-甲基-1-苯乙基)-1-哌啶硫代甲酸酯
S-(Α,Α-二甲基苄基)哌啶-1-硫代甲酸酯
S-1-甲基-1-苯基乙基哌啶-1-硫代甲酸酯
英文别名 S-1-methyl-1-phenylethyl piperidine-1-carbothioate
Yukamate
S-1-Methyl-1-phenylethyl piperidine 1-carbothioate
s-(2-phenyl-2-propanyl)-1-piperidincarbothioat
S-(2-phenylpropan-2-yl) piperidine-1-carbothioate
MFCD00274592
Dimepiperate
EINECS 262-784-2
S-(1-methyl-1-phenylethyl) 1-piperidinecarbothioate
描述 二哌拉酯(93年款)是一种硫代氨基甲酸酯(TC)农药。二甲基哌嗪对ABHD6具有潜在的脱靶抑制作用[1]。
相关类别
体内研究 二甲基哌嗪(腹腔注射;100 mg/kg)显示出抑制小鼠大脑中 阿布德6的潜在脱靶效应[1] 动物模型:C57BL/6小鼠[1]。剂量:100 mg/kg给药:腹膜内注射结果:对ABHD6有33%的脱靶抑制。
参考文献

[1]. Nomura DK, et al. Activity-based protein profiling of organophosphorus and thiocarbamate pesticides reveals multiple serine hydrolase targets in mouse brain. J Agric Food Chem. 2011;59(7):2808-2815.  

密度 1.109g/cm3
沸点 380ºC(e)
熔点 39ºC
分子式 C15H21NOS
分子量 263.40
闪点 180.6ºC
精确质量 263.13400
PSA 45.61000
LogP 4.19870
折射率 1.563
储存条件

0-6℃

稳定性

30℃可稳定1年以上,在0.1mol/L盐酸和0.1mol/L氢氧化钠水溶液中稳定,日光下稳定。对家兔皮肤和眼睛无刺激,对豚鼠皮内注射无过敏反应。大、小鼠经2年喂养试验无不良影响。功物试验未见致畸、致癌、致突变作用。

计算化学

1.疏水参数计算参考值(XlogP):3.6

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积45.6

7.重原子数量:18

8.表面电荷:0

9.复杂度:278

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1. 性状:似蜡状固体

2. 密度(g/cm3 25/4 ºC):1.08

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):38.8~39.3

5. 沸点(ºC,99.75Pa):164~168

6. 沸点(ºC,5.2kPa):未确定

7. 折射率(°):未确定

8. 闪点(℉):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,30ºC):0.53×10-3

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值(25℃):未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性(mg/mL, 25 ºC ):正己烷2.0kg/L,甲苯3.1kg/L,乙醇4.1kg/L,环己酮4.9kg/L,氯 仿5.8kg/L,丙酮6.2kg/L;水中溶解度为20mg/L

毒理学数据:

雄性大鼠急性经口LD50 946mg /kg ,雌性为959mg /kg,雄小鼠为4677mg /kg ,雌小鼠为4519mg /kg。大鼠(雄、雌)急性经皮LD50 > 5000mg /kg。大鼠腹膜注射LD50 676-798mg /kg,小鼠皮下注射LD50 > 10000mg /kg。鲤鱼LC50 5.8 mg/L (48h},虹鳟鱼5.7m/L }48h),水蚤40mg/L ( 3h )。雄性日本鹤鹑急性经口LD50> 2000mg /kg,母鸡LD50> SOOOmg /kg

生态学数据:

若无政府许可,勿将材料排入周围环境

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM5958000
CHEMICAL NAME :
1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester
CAS REGISTRY NUMBER :
61432-55-1
LAST UPDATED :
199512
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C15-H21-N-O-S
MOLECULAR WEIGHT :
263.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
946 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1600 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
676 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18836 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4519 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1211 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (45),18,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1092 mg/kg/13W-C
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13140 mg/kg/2Y-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54600 mg/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
263 gm/kg/2Y-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in thyroid weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 14,109,1989

符号 GHS07 GHS09
GHS07, GHS09
信号词 Warning
危害声明 H302-H411
警示性声明 P273
个人防护装备 dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲) Xn,N
风险声明 (欧洲) 22-51/53
安全声明 (欧洲) S61
危险品运输编码 UN3082 9/PG 3
RTECS号 TM5958000
海关编码 29333990

以甲苯或哌啶为溶剂,加入α,α-二甲基苄硫醇,然后在室温下滴加40%氢氧化钠溶液,回流反应,分去水分。升温至60~70℃,滴加哌啶甲酰氯,滤去析出的氯化钠,升温反应数小时,经水洗、干燥、脱溶得哌草丹。
α,α-二甲基苄硫醇的合成方法如下:以1,4-二氧六环为溶剂,在催化剂存在下,α-甲基苯乙烯与硫化氢反应制得,收率86.3%。
也可采用二甲基亚砜为溶剂,将相应的硝基化合物用Na2S2处理,所得物在0℃与铝汞齐作用制得,收率达92%。