美西拉宗
- 中文名称：
- 美西拉宗
- 中文别名：
- 美西拉宗;
甲塞克那唑
- 英文名称：
- 2H,9H-Isoxazolo[3,2-b][1,3]benzoxazin-9-one,7-chloro-3,3a-dihydro-2-methyl-
- 英文别名：
- 7-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one;
Meseclazone
- CAS No.：
- 29053-27-8
- 分 子 式：
-
C11H10ClNO3
- 分 子 量：
- 238.66
- 精确分子量：
- 239.03500
- PSA：
- 38.77000
- InChI：
- The Key: OJGJQQNLRVNIKE-UHFFFAOYSA-N3
- 安全术语：
- Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
- 分子结构式：
-
- SDS：
- 查看
美西拉宗 物化性质
- 密度：
- 1.47g/cm3
- 沸点：
- 435.6ºC at 760mmHg
- 闪点：
- 217.3ºC
- 折射率：
- 1.632
- 蒸汽压：
- 8.62E-08mmHg at 25°C
- 存储条件/存储方法：
- 库房低温,通风,干燥
美西拉宗 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NY3200000
- CHEMICAL NAME :
- 2H,9H-Isoxazolo(3,2-b)(1,3)benzoxazin-9-one,
3,3a-dihydro-7-chloro-2-methyl-
- CAS REGISTRY NUMBER :
- 29053-27-8
- LAST UPDATED :
- 199409
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H10-Cl-N-O3
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 :
- 1160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
33,147,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
33,147,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
33,147,1975
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1280 mg/kg/4D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from stomach
Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
52,454,1980
美西拉宗 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:2.5
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积:38.8
7.重原子数量:16
8.表面电荷:0
9.复杂度:312
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:2
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
