Benzeneacetonitrile,4-nitro-a-phenyl结构式
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常用名 | Benzeneacetonitrile,4-nitro-a-phenyl | 英文名 | Benzeneacetonitrile,4-nitro-a-phenyl |
|---|---|---|---|---|
| CAS号 | 7599-05-5 | 分子量 | 238.24100 | |
| 密度 | 1.245g/cm3 | 沸点 | 400.2ºC at 760mmHg | |
| 分子式 | C14H10N2O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 195.9ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 2-(4-nitrophenyl)-2-phenylacetonitrile |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.245g/cm3 |
|---|---|
| 沸点 | 400.2ºC at 760mmHg |
| 分子式 | C14H10N2O2 |
| 分子量 | 238.24100 |
| 闪点 | 195.9ºC |
| 精确质量 | 238.07400 |
| PSA | 69.61000 |
| LogP | 3.77348 |
| InChIKey | DZRUHJSVLPGCMS-UHFFFAOYSA-N |
| SMILES | N#CC(c1ccccc1)c1ccc([N+](=O)[O-])cc1 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~99%
Benzeneacetonit... 7599-05-5 |
| 文献:Iwasaki, Genji; Saeki, Seitaro; Hamana, Masatomo Chemistry Letters, 1986 , p. 31 - 34 |
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~73%
Benzeneacetonit... 7599-05-5 |
| 文献:Iwasaki, Genji; Saeki, Seitaro; Hamana, Masatomo Chemistry Letters, 1986 , p. 173 - 176 |
|
~55%
Benzeneacetonit... 7599-05-5 |
| 文献:Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499 |
|
~57%
Benzeneacetonit... 7599-05-5 |
| 文献:Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499 |
|
~42%
Benzeneacetonit... 7599-05-5 |
| 文献:Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499 |
|
~%
Benzeneacetonit... 7599-05-5 |
| 文献:Gen. Aniline Works Patent: US2080057 , 1933 ; Full Text Show Details I.G. Farbenind. Patent: DE603622 , 1932 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 814 Full Text Show Details Davis; Pizzini Journal of Organic Chemistry, 1960 , vol. 25, p. 1884,1887 |
|
~%
Benzeneacetonit... 7599-05-5 |
| 文献:Jarczewski, Arnold; Pruszynski, Przemyslaw; Leffek, Kenneth T. Canadian Journal of Chemistry, 1983 , vol. 61, p. 2029 - 2032 |
|
~%
Benzeneacetonit... 7599-05-5 |
| 文献:I.G. Farbenind. Patent: DE603622 , 1932 ; Full Text Show Details Davis; Pizzini Journal of Organic Chemistry, 1960 , vol. 25, p. 1884,1887 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| Benzeneacetonitrile,4-nitro-a-phenyl上游产品 7 | |
|---|---|
| Benzeneacetonitrile,4-nitro-a-phenyl下游产品 1 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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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: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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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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实验名称:Identification of agents that induce E-selectin on human endothelial cells Measured i...
来源:Broad Institute
靶标:E-Selectin
External Id:2152-01_Activator_SinglePoint_HTS_Activity
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 4-nitrophenylphenylacetonitrile |
| phenyl-(4-nitrophenyl)acetonitrile |
| 4-nitrophenylphenylcyanomethane |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 7599-05-5的上游原料有哪些? |
| A: 7599-05-5相关上游原料(CAS):100-25-4;140-29-4;555-16-8;98-95-3;13031-13-5;100-00-5;110-86-1。 |
| Q: 7599-05-5的CAS号是多少? |
| A: 7599-05-5CAS号为7599-05-5。 |
| Q: 7599-05-5的SMILES表达式是什么? |
| A: 7599-05-5SMILES表达式为N#CC(c1ccccc1)c1ccc([N+](=O)[O-])cc1。 |
| Q: 7599-05-5的英文名称是什么? |
| A: 7599-05-5英文名称为2-(4-nitrophenyl)-2-phenylacetonitrile。 |
| Q: 7599-05-5的LogP(油水分配系数)是多少? |
| A: 7599-05-5LogP(油水分配系数)为3.77348。 |
| Q: 7599-05-5有哪些英文别名? |
| A: 7599-05-5英文别名有:4-nitrophenylphenylacetonitrile、 phenyl-(4-nitrophenyl)acetonitrile、 4-nitrophenylphenylcyanomethane。 |
| Q: 7599-05-5的极性表面积PSA是多少? |
| A: 7599-05-5极性表面积PSA为69.61000。 |
| Q: 7599-05-5的下游产品有哪些? |
| A: 7599-05-5相关下游产品(CAS):1144-74-7。 |
| Q: 7599-05-5的沸点是多少? |
| A: 7599-05-5沸点为400.2ºC at 760mmHg。 |
| Q: 7599-05-5的中文名称是什么? |
| A: 7599-05-5的中文名称为7599-05-5。 |