4(5H)-Oxazolone,2-(dimethylamino)-5-phenyl-
- 中文别名：托扎啉酮; 2-(二甲基氨基)-5-苯基-2-恶唑啉-4-酮
- 中文释义：托扎啉酮;2-(二甲基氨基)-5-苯基-2-恶唑啉-4-酮
- 英文别名：2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one;
2-Dimethylamino-5-phenyl-4-oxazolinon-(4);
Tozalinona [INN-Spanish];
2-Oxazolin-4-one,2-(dimethylamino)-5-phenyl;
5-Phenyl-2-dimethylamino-2-oxazolin-4-on;
2-(Dimethylamino)-5-phenyl-2-oxazolin-4-one;
2-Dimethylamino-5-phenyl-4-oxo-2-oxazolin;
2-Dimethylamino-4-oxo-5-phenyl-oxazolin;
Tozalinonum [INN-Latin];
Stimsen;
2-dimethylamino-5-phenyl-oxazol-4-one;
Tozalinone;
THOZALINONE
- CAS No.：655-05-0
- 分子式：C11H12N2O2
- 分子量：204.22
- 精确分子量：204.09000
- PSA：41.90000
- InChI：InChI=1/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- 分子结构式：
物化性质
- 密度：
- 1.19g/cm3
- 熔点：
- 134.5ºC
- 沸点：
- 294.8ºC at 760 mmHg
- 闪点：
- 132.1ºC
- 折射率：
- 1.584
安全信息
- 密度：
- 1.19g/cm3
- 熔点：
- 134.5ºC
- 沸点：
- 294.8ºC at 760 mmHg
- 闪点：
- 132.1ºC
- 折射率：
- 1.584
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RQ5775000
- CHEMICAL NAME :
- 2-Oxazolin-4-one, 2-(dimethylamino)-5-phenyl-
- CAS REGISTRY NUMBER :
- 655-05-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H12-N2-O2
- MOLECULAR WEIGHT :
- 204.25
- WISWESSER LINE NOTATION :
- T5NV DO CHJ CR& EN1&1
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 :
- >3000 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,566,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1240 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) 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: 7,566,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 570 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) 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: 7,566,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) 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: 7,566,1965
海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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）:1.5
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:2
5.互变异构体数量:2
6.拓扑分子极性表面积:41.9
7.重原子数量:15
8.表面电荷:0
9.复杂度:280
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
