杨菌胺
- 中文名称：
- 杨菌胺
- 中文别名：
- 水杨菌胺;
酰菌胺;
真菌灵;
杨菌胺;
N-(1-丁氧基-2,2,2-三氯乙基)水杨酰胺
- 英文名称：
- Benzamide,N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxy-
- 英文别名：
- trichlamide;
NK 483;
n-(1-butoxy-2,2,2-trichlorethyl)-2-hydroxybenzamid;
Hataclean;
N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide;
Trichlamide [ISO];
(RS)-N-(1-butoxy-2,2,2-trichloroethyl)salicylamide;
rac-N-[(1R)-1-butoxy-2,2,2-trichloroethyl]-2-hydroxybenzamide;
N-(1-n-Butoxy-2,2,2-trichloraethyl)salicylamid;
N-(l-Butoxy-2,2,2-trichloroethyl)salicylamide
- CAS No.：
- 70193-21-4
- 分 子 式：
-
C13H16Cl3NO3
- 分 子 量：
- 340.63
- 精确分子量：
- 339.02000
- PSA：
- 58.56000
- InChI：
- The Key: NHTFLYKPEGXOAN-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
杨菌胺 物化性质
- 密度：
- 1.353 g/cm3
- 沸点：
- 457.4ºC at 760 mmHg
- 闪点：
- 230.4ºC
- 折射率：
- 1.557
- 存储条件/存储方法：
- 库房通风低温干燥
- 稳定性相关：
远离氧化物，日光，热。
- 其它信息：
1. 性状：白色结晶或者粉末。
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：71-73
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：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,25ºC）：未确定
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：几乎不溶于水，溶于丙酮，乙醇。
杨菌胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV2441800
- CHEMICAL NAME :
- Benzamide,
N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxy-
- CAS REGISTRY NUMBER :
- 70193-21-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C13-H16-Cl3-N-O3
- MOLECULAR WEIGHT :
- 340.65
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 :
- 7590 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: 13,395,1988
- 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 :
- 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: 13,395,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1140 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: 13,395,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- 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: (56),12,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- 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: 13,395,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- 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: 13,395,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1590 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: (56),12,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- 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: 13,395,1988
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21840 mg/kg/13W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight
Blood - change in clotting factors
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: 13,395,1988
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4380 mg/kg/2Y-C
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- 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: 13,395,1988
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 7300 mg/kg/2Y-C
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
- 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: 13,395,1988
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
(e.g., placenta, umbilical cord)
- 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: 13,395,1988
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2600 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
Reproductive - Fertility - abortion
- 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: 13,395,1988
杨菌胺 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：81.13
2、 摩尔体积（m3/mol）：251.6
3、 等张比容（90.2K）：661.8
4、 表面张力（dyne/cm）：47.8
5、 极化率（10-24cm3）：32.16
计算化学数据
1.疏水参数计算参考值（XlogP）:4.5
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:6
5.互变异构体数量:7
6.拓扑分子极性表面积58.6
7.重原子数量:20
8.表面电荷:0
9.复杂度:310
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:1
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
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