4-(4-氯苯基)-4-氧代-2-苯基丁腈结构式
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常用名 | 4-(4-氯苯基)-4-氧代-2-苯基丁腈 | 英文名 | 4-(4-chlorophenyl)-4-oxo-2-phenyl-butanenitrile |
|---|---|---|---|---|
| CAS号 | 6273-45-6 | 分子量 | 269.72600 | |
| 密度 | 1.221g/cm3 | 沸点 | 466.1ºC at 760 mmHg | |
| 分子式 | C16H12ClNO | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 235.7ºC |
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。
| 中文名 | 4-(4-氯苯基)-4-氧代-2-苯基丁腈 |
|---|---|
| 英文名 | 4-(4-chlorophenyl)-4-oxo-2-phenylbutanenitrile |
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 | 1.221g/cm3 |
|---|---|
| 沸点 | 466.1ºC at 760 mmHg |
| 分子式 | C16H12ClNO |
| 分子量 | 269.72600 |
| 闪点 | 235.7ºC |
| 精确质量 | 269.06100 |
| PSA | 40.86000 |
| LogP | 4.22018 |
| InChIKey | MLVQTZJXXMILIV-UHFFFAOYSA-N |
| SMILES | N#CC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 |
| 折射率 | 1.593 |
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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~72%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Iida, Hirokazu; Moromizato, Tatsuya; Hamana, Hiroshi; Matsumoto, Kiyoshi Tetrahedron Letters, 2007 , vol. 48, # 11 p. 2037 - 2039 |
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~90%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Lin, Shaoxia; Wei, Ying; Liang, Fushun Chemical Communications, 2012 , vol. 48, # 79 p. 9879 - 9881 |
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~86%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Li, Zheng; Liu, Chenhui; Zhang, Yupeng; Li, Rongzhi; Ma, Ben; Yang, Jingya Synlett, 2012 , vol. 23, # 17 p. 2567 - 2571 |
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~60%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Fateen, A.K.; Moustafa, A.H.; Kaddah, A.M.; Shams, N.A. Synthesis, 1980 , # 6 p. 457 - 460 |
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~%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Betts; Davey Journal of the Chemical Society, 1958 , p. 4193,4195 |
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。
| 4-(4-氯苯基)-4-氧代-2-苯基丁腈上游产品 7 | |
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| 4-(4-氯苯基)-4-氧代-2-苯基丁腈下游产品 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: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:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
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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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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: 6273-45-6的中文名称是什么? |
| A: 6273-45-6的中文名称为4-(4-氯苯基)-4-氧代-2-苯基丁腈。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的CAS号是多少? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈CAS号为6273-45-6。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的InChIKey是什么? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈InChIKey为MLVQTZJXXMILIV-UHFFFAOYSA-N。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的LogP(油水分配系数)是多少? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈LogP(油水分配系数)为4.22018。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的沸点是多少? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈沸点为466.1ºC at 760 mmHg。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的极性表面积PSA是多少? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈极性表面积PSA为40.86000。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的分子量是多少? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈分子量为269.72600。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的下游产品有哪些? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈相关下游产品(CAS):6273-34-3。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的分子式是什么? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈分子式为C16H12ClNO。 |
| Q: 4-(4-氯苯基)-4-氧代-2-苯基丁腈的SMILES表达式是什么? |
| A: 4-(4-氯苯基)-4-氧代-2-苯基丁腈SMILES表达式为N#CC(CC(=O)c1ccc(Cl)cc1)c1ccccc1。 |