二氯嗪酮
- 中文名称：
- 二氯嗪酮
- 中文别名：
- 二氯嗪酮;
二氯喹酮 氯芬那露
- 英文名称：
- Dichlormezanone
- 英文别名：
- 2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one;
Dichlormethazanone;
2-(3,4-Dichlorophenyl)-3-methyl-4-metathiazanone 1,1-dioxide;
(-)-2-(3,4-Dichlorphenyl)-tetrahydro-3-methyl-4H-1,3-thiazin-4-on-1,1-dioxid;
Dichlormezanonum [INN-Latin];
Diclormezanona [INN-Spanish];
2-(3,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide;
Dichlormezanone
- CAS No.：
- 5571-97-1
- 分 子 式：
-
- 分 子 量：
- 308.184
- 精确分子量：
- 306.98400
- PSA：
- 62.83000
- InChI：
- The Key: FTBWWORDOHNJDB-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
二氯嗪酮 物化性质
- 密度：
- 1.476g/cm3
- 沸点：
- 555.4ºC at 760 mmHg
- 闪点：
- 289.7ºC
- 折射率：
- 1.588
二氯嗪酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XJ1225000
- CHEMICAL NAME :
- 4H-1,3-Thiazin-4-one,
2-(3,4-dichlorophenyl)tetrahydro-3-methyl-,
1,1-dioxide
- CAS REGISTRY NUMBER :
- 5571-97-1
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C11-H11-Cl2-N-O3-S
- MOLECULAR WEIGHT :
- 308.19
- WISWESSER LINE NOTATION :
- T6VN DSWTJ B1 CR CG DG
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 :
- 1050 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:
1,168,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 840 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
(usually neuromuscular blockage)
Behavioral - ataxia
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 122,517,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 570 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:
1,168,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 300 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:
1,168,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 400 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:
1,168,1959
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3975 mg/kg/5D-C
- TOXIC EFFECTS :
- 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:
1,168,1959
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 14445 mg/kg/54W-I
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - changes in motor activity (specific assay)
Behavioral - ataxia
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
1,168,1959
二氯嗪酮 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）:1.7
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:1
5.互变异构体数量:2
6.拓扑分子极性表面积:62.8
7.重原子数量:18
8.表面电荷:0
9.复杂度:434
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
