1-羟基-2-十八碳烯-4-酮
- 中文名称:
- 1-羟基-2-十八碳烯-4-酮
- 中文别名:
- 1-羟基-2-十八碳烯-4-酮
- 英文名称:
- 1H-Pyrazole-3-carboxylicacid, 1-(3-chlorophenyl)-5-[2-[4-(dimethylamino)phenyl]diazenyl]-4-methoxy-,2-(2-chloroacetyl)hydrazide
- 英文别名:
- N-(2-chloroacetyl)imino-1-(3-chlorophenyl)-5-[2-[4-(dimethylamino)phenyl]hydrazinyl]-4-methoxypyrazole-3-carboxamide;
1H-Pyrazole-3-carboxylicacid, 1-(3-chlorophenyl)-5-[2-[4-(dimethylamino)phenyl]diazenyl]-4-methoxy-,2-(2-chloroacetyl)hydrazide
- CAS No.:
- 172701-64-3
- 分 子 式:
-
C21H21Cl2N7O3
- 分 子 量:
- 0
- 精确分子量:
- 489.10800
- PSA:
- 113.21000
- 分子结构式:
-
- SDS:
- 查看
1-羟基-2-十八碳烯-4-酮 物化性质
- 密度:
- 1.41g/cm3
- 沸点:
- 611.4ºC at 760 mmHg
- 闪点:
- 323.6ºC
- 折射率:
- 1.65
- 蒸汽压:
- 6.89E-15mmHg at 25°C
1-羟基-2-十八碳烯-4-酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UQ6392626
- CHEMICAL NAME :
- 1H-Pyrazole-3-carboxylic acid,
1-(3-chlorophenyl)-5-((4-(dimethylamino)phenyl)azo)-4
-methoxy-,2-(chloroac etyl)hydrazide
- CAS REGISTRY NUMBER :
- 172701-64-3
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H21-Cl2-N7-O3
- MOLECULAR WEIGHT :
- 490.39
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 45,1074,1995
1-羟基-2-十八碳烯-4-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):5.6
2.氢键供体数量:2
3.氢键受体数量:7
4.可旋转化学键数量:8
5.互变异构体数量:9
6.拓扑分子极性表面积:113
7.重原子数量:33
8.表面电荷:0
9.复杂度:691
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:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1