吡啶,2-氯-4,6-二甲氧基-
- 中文名称:
- 吡啶,2-氯-4,6-二甲氧基-
- 中文别名:
- 吡啶,2-氯-4,6-二甲氧基-
- 英文名称:
- 2,6,7-Trioxabicyclo[2.2.2]octane,1-(4-ethynylphenyl)-4-propyl-
- 英文别名:
- 4-(4-ethynylphenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane;
EBOB;
1-(4-Ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo(2.2.2)octane;
2,6,7-Trioxabicyclo[2.2.2]octane,1-(4-ethynylphenyl)-4-propyl;
4-n-propyl-4'-ethynylbicycloorthobenzoate;
4'-ethynyl-4-n-[2,3-3H2]propylbicycloorthobenzoate;
1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane;
1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo<2.2.2>octyne;
4'-ethynyl-4-n-propylbicycloorthobenzoate
- CAS No.:
- 108614-26-2
- 分 子 式:
-
C16H18O3
- 分 子 量:
- 0
- 精确分子量:
- 258.12600
- PSA:
- 27.69000
- InChI:
- The Key: HFUCNMPQEAYQDJ-UHFFFAOYSA-N3
- 分子结构式:
-

- SDS:
- 查看
吡啶,2-氯-4,6-二甲氧基- 物化性质
- 密度:
- 1.17g/cm3
- 沸点:
- 338.9ºC at 760mmHg
- 闪点:
- 113.9ºC
- 折射率:
- 1.566
- 蒸汽压:
- 0.000187mmHg at 25°C
吡啶,2-氯-4,6-二甲氧基- 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YJ9300003
- CHEMICAL NAME :
- 2,6,7-Trioxabicyclo(2.2.2)octane,
1-(4-ethynylphenyl)-4-propyl-
- CAS REGISTRY NUMBER :
- 108614-26-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H18-O3
- MOLECULAR WEIGHT :
- 258.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 920 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
20037) V.1- 1953- Volume(issue)/page/year: 39,1329,1991
吡啶,2-氯-4,6-二甲氧基- 海关数据
中国海关编码:2932999099
- 概述:
- 2932999099. 其他仅含氧杂原子的杂环化合物. 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:
- 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
吡啶,2-氯-4,6-二甲氧基- 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):2.7
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:4
5.互变异构体数量:无
6.拓扑分子极性表面积:27.7
7.重原子数量:19
8.表面电荷:0
9.复杂度:348
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