1H-Imidazo[1,2-b]pyrazole,2,3-dihydro-
- 中文别名：2,3-二氢-1H-咪唑并[1,2-b]吡唑
- 中文释义：2,3-二氢-1H-咪唑并[1,2-b]吡唑
- 英文别名：3,5-dihydro-2H-imidazo[1,2-b]pyrazole;
Imidazole-Pyrazole;
2,3-dihydro-1-H-imidazo<1,2,-6>pyrazole;
IMPY;
2,2-b]pyrazole;
imidazopyrazole
- CAS No.：6714-29-0
- 分子式：
C5H7N3
- 分子量：109.15
- 精确分子量：109.06400
- PSA：29.85000
- InChI：The Key: KPMVHELZNRNSMN-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.439g/cm3
- 沸点：
- 267.984ºC at 760 mmHg
- 闪点：
- 115.873ºC
- 折射率：
- 1.739
安全信息
- 密度：
- 1.439g/cm3
- 沸点：
- 267.984ºC at 760 mmHg
- 闪点：
- 115.873ºC
- 折射率：
- 1.739
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ5098950
- CHEMICAL NAME :
- 1H-Imidazo(1,2-b)pyrazole, 2,3-dihydro-
- CAS REGISTRY NUMBER :
- 6714-29-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C5-H7-N3
- MOLECULAR WEIGHT :
- 109.15
- WISWESSER LINE NOTATION :
- T55 ANN FM&TJ
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 :
- 410 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 993 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Behavioral - ataxia
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Behavioral - ataxia Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 500 mg/kg/5D-I
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Blood - normocytic anemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 500 mg/kg/10D-I
- TOXIC EFFECTS :
- Blood - changes in erythrocyte (RBC) count
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 415 mg/kg/5D-I
- TOXIC EFFECTS :
- Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Blood - hemorrhage
MUTATION DATA
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Ascites tumor
- DOSE/DURATION :
- 600 mg/kg
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 20,2639,1971
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 摘要/Summary：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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
计算化学数据
1.疏水参数计算参考值（XlogP）:-0.4
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:3
6.拓扑分子极性表面积:27.6
7.重原子数量:8
8.表面电荷:0
9.复杂度:159
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
