1,3,5-Triazine-2,4-diamine,N2,N4-diethyl-6-(methylthio)-
- 中文别名：西草净
- 中文释义：西草净;2-甲硫基-4,6-二乙胺基-1,3,5 -三嗪;西玛净;2,4-双(乙氨基)-6-甲硫基-S-三氮苯;2-甲基硫-4,6-二(乙胺基)-1,3,5-三嗪;2-甲硫基-4,6-二乙胺基-1,3,4-三嗪
- 英文别名：simetryn;
Symetryne;
N,N’-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine;
GY-Bon;
Cymetrin;
N2,N4-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine;
SIMETRYNE;
Simetryn;
N2,N4-diethyl-6-methylthio-1,3,5-triazine-2,4-diamine;
Caswell No. 094B
- CAS No.：1014-70-6
- 分子式：
C8H15N5S
- 分子量：213.30
- 精确分子量：213.10500
- PSA：88.03000
- MDL：MFCD00078720
- InChI：InChI=1/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
- 分子结构式：
物化性质
- 外观与性状：
- 发白的晶体
- 密度：
- 1.18 g/cm3
- 熔点：
- 82-83°C
- 沸点：
- 393.2ºC at 760 mmHg
- 闪点：
- 191.6ºC
- 折射率：
- 1.566
- 蒸汽压：
- 2.17E-06mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
常温常压下稳定，避免强氧化剂接触
- 其它信息：
1. 性状：白色晶体。
2. 密度（g/mL,25℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：82-83
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,18mmHg）：未确定
7. 折射率（n20/D）：未确定
8. 闪点（ºF）：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（uPa,20ºC）：94.7uPa
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：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：22℃水中溶解度为450ppm，易溶于甲醇、乙醇、氯仿
安全信息
- 外观与性状：
- 发白的晶体
- 密度：
- 1.18 g/cm3
- 熔点：
- 82-83°C
- 沸点：
- 393.2ºC at 760 mmHg
- 闪点：
- 191.6ºC
- 折射率：
- 1.566
- 蒸汽压：
- 2.17E-06mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
常温常压下稳定，避免强氧化剂接触
- 其它信息：
1. 性状：白色晶体。
2. 密度（g/mL,25℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：82-83
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,18mmHg）：未确定
7. 折射率（n20/D）：未确定
8. 闪点（ºF）：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（uPa,20ºC）：94.7uPa
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：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：22℃水中溶解度为450ppm，易溶于甲醇、乙醇、氯仿
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XY4025000
- CHEMICAL NAME :
- s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-
- CAS REGISTRY NUMBER :
- 1014-70-6
- BEILSTEIN REFERENCE NO. :
- 0011728
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C8-H15-N5-S
- MOLECULAR WEIGHT :
- 213.34
- WISWESSER LINE NOTATION :
- T6N CN ENJ BS1 DM2 FM2
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 :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,207,1976
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >4880 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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >3100 mg/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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 196 mg/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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 395 mg/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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 328 mg/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: 17,S315,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 640 mg/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: 17,S315,1992 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 13650 mg/kg/13W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight 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: 17,S315,1992
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90720 mg/kg/2Y-C
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - other changes 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: 17,S315,1992
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 27300 mg/kg/13W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight 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: 17,S315,1992
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 526 gm/kg/2Y-C
- TOXIC EFFECTS :
- Liver - fatty liver degeneration Liver - changes in liver weight Endocrine - changes in thyroid 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: 17,S315,1992 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 780 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
- 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: 17,S315,1992
海关数据
中国海关编码：2933699012
- 概述：
- 2933699012 西草净,扑草净,敌草净,莠灭净等〔包括特丁净,异丙净,异戊乙净,氰草净,氟草净,甲氧丙净〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 监管条件：
- S.进出口农药登记证明
- 摘要/Summary：
- 2933699012 n2-(tert-butyl)-n4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：58.59
2、 摩尔体积（m3/mol）：179.5
3、 等张比容（90.2K）：495.9
4、 表面张力（dyne/cm）：58.1
5、 介电常数：不可用
6、 偶极距（10-24cm3）：不可用
7、 极化率：23.23
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:2
3.氢键受体数量:6
4.可旋转化学键数量:5
5.互变异构体数量:5
6.拓扑分子极性表面积88
7.重原子数量:14
8.表面电荷:0
9.复杂度:143
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
