2,5-diphenyl-1H-pyrazol-3-one结构式
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常用名 | 2,5-diphenyl-1H-pyrazol-3-one | 英文名 | 2,5-diphenyl-1H-pyrazol-3-one |
|---|---|---|---|---|
| CAS号 | 6632-05-9 | 分子量 | 236.26900 | |
| 密度 | 1.23g/cm3 | 沸点 | 388.8ºC at 760mmHg | |
| 分子式 | C15H12N2O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 188.9ºC |
摘要:2,5-二苯基-1H-吡唑-3-酮(CAS号:6632-05-9),分子式:C15H12N2O,分子量:236.26900。仅供科研实验参考,不作为医疗诊断与用药依据。
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 | 2,5-diphenyl-1H-pyrazol-3-one |
|---|---|
| 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 | 1.23g/cm3 |
|---|---|
| 沸点 | 388.8ºC at 760mmHg |
| 分子式 | C15H12N2O |
| 分子量 | 236.26900 |
| 闪点 | 188.9ºC |
| 精确质量 | 236.09500 |
| PSA | 37.79000 |
| LogP | 2.83260 |
| InChIKey | XUGMZXWEBJJQID-UHFFFAOYSA-N |
| SMILES | O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1 |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2933199090 |
|---|
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。
|
~79%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Marchetti, Fabio; Pettinari, Claudio; Cingolani, Augusto; Pettinari, Riccardo; Rossi, Miriam; Caruso, Francesco Journal of Organometalic Chemistry, 2002 , vol. 645, # 1-2 p. 134 - 145 |
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~20%
2,5-diphenyl-1H... 6632-05-9
查看详情
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| 文献:Omar, Mohamed T.; Sherif, Fatma A. Synthesis, 1981 , # 9 p. 742 - 743 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Omar, Mohamed T.; Sherif, Fatma A. Synthesis, 1981 , # 9 p. 742 - 743 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Omar, Mohamed T.; Sherif, Fatma A. Synthesis, 1981 , # 9 p. 742 - 743 |
|
~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Omar, Mohamed T.; Sherif, Fatma A. Synthesis, 1981 , # 9 p. 742 - 743 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Shaw; Sugowdz Journal of the Chemical Society, 1954 , p. 665,668 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Shaw; Sugowdz Journal of the Chemical Society, 1954 , p. 665,668 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:v. Rothenburg Chemische Berichte, 1894 , vol. 27, p. 791 Journal fuer Praktische Chemie (Leipzig), 1895 , vol. <2> 51, p. 61 |
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~%
2,5-diphenyl-1H... 6632-05-9 |
| 文献:Gaponov, A. A.; Solomko, Z. F.; Bozhanova, N. Ya.; Pantyukh, E. I. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1989 , vol. 25, # 7 p. 836 Khimiya Geterotsiklicheskikh Soedinenii, 1989 , vol. 25, # 7 p. 997 |
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。
| 2,5-diphenyl-1H-pyrazol-3-one上游产品 6 | |
|---|---|
| 2,5-diphenyl-1H-pyrazol-3-one下游产品 2 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2933199090 |
|---|---|
| 中文概述 | 2933199090. 其他结构上有非稠合吡唑环化合物. 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 | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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: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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
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实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
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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。
| 1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one |
| 2,5-Diphenyl-1,2-dihydro-pyrazol-3-on |
| 2-phenyl-5-phenyl-pyrazol-3-one |
| 1,3-diphenyl-5-pyrazolone |
| 2,5-diphenyl-1,2-dihydro-pyrazol-3-one |
| 1,3-diphenylpyrazol-5-one |
| 1,3-diphenyl-pyrazolin-5-one |
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: 6632-05-9的极性表面积PSA是多少? |
| A: 6632-05-9极性表面积PSA为37.79000。 |
| Q: 6632-05-9的SMILES表达式是什么? |
| A: 6632-05-9SMILES表达式为O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1。 |
| Q: 6632-05-9的上游原料有哪些? |
| A: 6632-05-9相关上游原料(CAS):94-02-0;100-63-0;80030-91-7;80030-93-9;4369-55-5;637-44-5。 |
| Q: 6632-05-9的分子式是什么? |
| A: 6632-05-9分子式为C15H12N2O。 |
| Q: 6632-05-9的英文名称是什么? |
| A: 6632-05-9英文名称为2,5-diphenyl-1H-pyrazol-3-one。 |
| Q: 6632-05-9的InChIKey是什么? |
| A: 6632-05-9InChIKey为XUGMZXWEBJJQID-UHFFFAOYSA-N。 |
| Q: 6632-05-9的中文名称是什么? |
| A: 6632-05-9的中文名称为6632-05-9。 |
| Q: 6632-05-9的LogP(油水分配系数)是多少? |
| A: 6632-05-9LogP(油水分配系数)为2.83260。 |
| Q: 6632-05-9的沸点是多少? |
| A: 6632-05-9沸点为388.8ºC at 760mmHg。 |
| Q: 6632-05-9有哪些英文别名? |
| A: 6632-05-9英文别名有:1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one、 2,5-Diphenyl-1,2-dihydro-pyrazol-3-on、 2-phenyl-5-phenyl-pyrazol-3-one、 1,3-diphenyl-5-pyrazolone、 2,5-diphenyl-1,2-dihydro-pyrazol-3-one、 1,3-diphenylpyrazol-5-one、 1,3-diphenyl-pyrazolin-5-one。 |