地巴唑
- 中文名称:
- 地巴唑
- 中文别名:
- 地巴唑;
2-苄基苯并咪唑
- 英文名称:
- Bendazol
- 英文别名:
- 2-Benzyl-1H-benzimidazole;
2-benzyl-1H-benzimidazole
- CAS No.:
- 621-72-7
- 分 子 式:
-
C14H12N2
- 分 子 量:
- 208.26
- 精确分子量:
- 208.10000
- PSA:
- 28.68000
- EINECS:
- 210-703-6
- InChI:
- InChI=1/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)3
- 分子结构式:
-
- SDS:
- 查看
地巴唑 物化性质
- 密度:
- 1.193 g/cm3
- 熔点:
- 187ºC
- 沸点:
- 453.5ºC at 760 mmHg
- 闪点:
- 252.1ºC
- 存储条件/存储方法:
- 通风低温干燥,与库房食品原料分开存放
地巴唑 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DD6206000
- CHEMICAL NAME :
- Benzimidazole, 2-benzyl-
- CAS REGISTRY NUMBER :
- 621-72-7
- BEILSTEIN REFERENCE NO. :
- 0159495
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C14-H12-N2
- MOLECULAR WEIGHT :
- 208.28
- WISWESSER LINE NOTATION :
- T56 BM DNJ C1R
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 :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRZKAP Farmatsevtichnii Zhurnal (Kiev). (V/O Mezhdunarodnaya Kniga, 113095
Moscow, USSR) V.3- 1930- Volume(issue)/page/year: (1),44,1983
- 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 :
- KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal.
For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095
Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 24(6),25,1990
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 504 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation
of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1-
1967- Volume(issue)/page/year: 13,829,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 64400 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office,
Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2292473
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRZKAP Farmatsevtichnii Zhurnal (Kiev). (V/O Mezhdunarodnaya Kniga, 113095
Moscow, USSR) V.3- 1930- Volume(issue)/page/year: (5),26,1983
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 2 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- AKGIAO Akushcherstvo i Ginekologiya (Moscow). (V/O Mezhdunarodnaya Kniga,
113095 Moscow, USSR) No.1- 1936- Volume(issue)/page/year: 43(12),10,1967
地巴唑 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):无
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:28.7
7.重原子数量:16
8.表面电荷:0
9.复杂度:223
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
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