cas号： 655-05-0 ，名称：托扎啉酮的性质/作用/用途-化学加百科

托扎啉酮

托扎啉酮基本信息
CAS号	655-05-0	分子式	C11H12N2O2
分子量	204.22500	精确质量	204.09000
PSA	41.90000	LogP	0.63770

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基本信息物化性质安全信息合成路线毒性海关数据结构与计算数据上下游

基本信息展开↓

CAS号：: 655-05-0
3D弹球模型：: 立即前往扯扯看
分子式：: C11H12N2O2
分子量：: 204.22500
中文名称：: 托扎啉酮
英文名称：: 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
中文别名：: 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
精确分子量/精确质量：: 204.09000
极性分子表面积/PSA：: 41.90000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
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

物化性质展开↓

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

安全信息展开↓

海关代码：: 2934999090

合成路线查看所有的合成路线

1467-79-4

二甲基氢胺
+
774-40-3

扁桃酸乙酯
→
655-05-0

托扎啉酮

100-52-7

苯甲醛
→
655-05-0

托扎啉酮

19331-89-6

19331-89-6
+
124-40-3

二甲胺
→
655-05-0

托扎啉酮

毒理性展开↓

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

海关数据查看详细

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展开↓

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

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