4,4,4-三氟-1-(4-甲氧基苯基)-1,3-丁二酮结构式
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常用名 | 4,4,4-三氟-1-(4-甲氧基苯基)-1,3-丁二酮 | 英文名 | 4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione |
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| CAS号 | 15191-68-1 | 分子量 | 246.183 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 309.0±37.0 °C at 760 mmHg | |
| 分子式 | C11H9F3O3 | 熔点 | 57 - 58ºC | |
| MSDS | N/A | 闪点 | 136.2±21.4 °C |
| 中文名 | 4,4,4-三氟-1-(4-甲氧基苯基)-1,3-丁烷二酮 |
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| 英文名 | 4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
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| 沸点 | 309.0±37.0 °C at 760 mmHg |
| 熔点 | 57 - 58ºC |
| 分子式 | C11H9F3O3 |
| 分子量 | 246.183 |
| 闪点 | 136.2±21.4 °C |
| 精确质量 | 246.050385 |
| PSA | 43.37000 |
| LogP | 4.24 |
| InChIKey | NNEIYSHJFCLFES-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1 |
| 外观性状 | 固体;White to Orange to Green powder to crystal |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.463 |
| 储存条件 | 室温 |
| 水溶解性 | 可溶于:甲醇 |
| 危害码 (欧洲) | Xi: Irritant; |
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| 安全声明 (欧洲) | S22 |
| 海关编码 | 2914700090 |
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~90%
4,4,4-三氟-1-(4-甲... 15191-68-1 |
| 文献:Singh, Sunil K.; Saibaba; Rao, K. Srinivasa; Reddy, P. Ganapati; Daga, Pankaj R.; Rajjak, S. Abdul; Misra, Parimal; Rao, Y. Koteswar European Journal of Medicinal Chemistry, 2005 , vol. 40, # 10 p. 977 - 990 |
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~56%
4,4,4-三氟-1-(4-甲... 15191-68-1 |
| 文献:J.B. Chemicals and Pharmaceuticals Limited Patent: US2001/47023 A1, 2001 ; |
| 海关编码 | 2914700090 |
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| 中文概述 | 2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 丙酮报明包装 |
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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| 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
| 4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione |