4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-酮
- 中文名称:
- 4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-酮
- 中文别名:
- 4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-酮
- 英文名称:
- 4H-Imidazol-4-one,5-[(2-bromophenyl)methylene]-3-[[(2-bromophenyl)methylene]amino]-3,5-dihydro-2-phenyl-
- 英文别名:
- (5Z)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one;
4H-Imidazol-4-one,3,5-dihydro-5-((2-bromophenyl)methylene)-3-(((2-bromophenyl)methylene)amino)-2-phenyl;
4-(o-Bromobenzylidene)-1-((o-bromobenzylidene)amino)-2-phenyl-2-imidazolin-5-one;
2-Imidazolin-5-one,4-(o-bromobenzylidene)-1-((o-bromobenzylidene)amino)-2-phenyl
- CAS No.:
- 126293-41-2
- 分 子 式:
-
C23H15Br2N3O
- 分 子 量:
- 0
- 精确分子量:
- 506.95800
- PSA:
- 45.03000
- 分子结构式:
-

- SDS:
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4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-酮 物化性质
- 密度:
- 1.53g/cm3
- 沸点:
- 594.5ºC at 760mmHg
- 闪点:
- 313.4ºC
- 折射率:
- 1.675
- 蒸汽压:
- 0mmHg at 25°C
4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ5065181
- CHEMICAL NAME :
- 4H-Imidazol-4-one,
3,5-dihydro-5-((2-bromophenyl)methylene)-3-(((2-bromo
phenyl)methylene) amino)-2-phenyl-
- CAS REGISTRY NUMBER :
- 126293-41-2
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H15-Br2-N3-O
- MOLECULAR WEIGHT :
- 509.23
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year:
44,851,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year:
44,851,1989
4-(o-溴苯亚甲基)-1-((o-溴苯亚甲基)氨基)-2-苯基-2-咪唑并啉-5-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):6.2
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:4
5.互变异构体数量:无
6.拓扑分子极性表面积:45
7.重原子数量:29
8.表面电荷:0
9.复杂度:684
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:0
13.确定化学键立构中心数量:2
14.不确定化学键立构中心数量:0
15.共价键单元数量:1