4-硝基吲唑结构式
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常用名 | 4-硝基吲唑 | 英文名 | 4-Nitro-1H-indazole |
|---|---|---|---|---|
| CAS号 | 2942-40-7 | 分子量 | 163.133 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 383.3±15.0 °C at 760 mmHg | |
| 分子式 | C7H5N3O2 | 熔点 | 199-203ºC | |
| MSDS | N/A | 闪点 | 185.6±20.4 °C |
| 中文名 | 4-硝基吲唑 |
|---|---|
| 英文名 | 4-Nitro-1H-indazole |
| 中文别名 | 4-硝基-1H-茚唑 | 4-硝基-1H-吲唑 | 4-硝基-1H-吲唑 |
| 英文别名 | 更多 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 383.3±15.0 °C at 760 mmHg |
| 熔点 | 199-203ºC |
| 分子式 | C7H5N3O2 |
| 分子量 | 163.133 |
| 闪点 | 185.6±20.4 °C |
| 精确质量 | 163.038177 |
| PSA | 74.50000 |
| LogP | 1.55 |
| 外观性状 | 淡黄色粉末 |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.741 |
| 储存条件 | 室温 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.4 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积:74.5 7.重原子数量:12 8.表面电荷:0 9.复杂度:192 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 |
| 风险声明 (欧洲) | 36/37/38 |
|---|---|
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2933990090 |
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~10%
4-硝基吲唑 2942-40-7 |
| 文献:Eli Lilly and Company Patent: US6534504 B1, 2003 ; |
| 4-硝基吲唑上游产品 1 | |
|---|---|
| 4-硝基吲唑下游产品 10 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 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 |
| 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% |
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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| 4-Nitro-1H-indazole |
| MFCD00022784 |