反式-2-三氟甲基肉桂酸结构式
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常用名 | 反式-2-三氟甲基肉桂酸 | 英文名 | 2-(Trifluoromethyl)cinnamic acid |
|---|---|---|---|---|
| CAS号 | 2062-26-2 | 分子量 | 216.157 | |
| 密度 | 1.4±0.1 g/cm3 | 沸点 | 279.2±35.0 °C at 760 mmHg | |
| 分子式 | C10H7F3O2 | 熔点 | 231-233ºC(lit.) | |
| MSDS | N/A | 闪点 | 122.6±25.9 °C |
| 中文名 | 2-三氟甲基肉桂酸 |
|---|---|
| 英文名 | 2-(Trifluoromethyl)cinnamic acid |
| 中文别名 | 邻三氟甲基肉桂酸 |
| 英文别名 | 更多 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 279.2±35.0 °C at 760 mmHg |
| 熔点 | 231-233ºC(lit.) |
| 分子式 | C10H7F3O2 |
| 分子量 | 216.157 |
| 闪点 | 122.6±25.9 °C |
| 精确质量 | 216.039810 |
| PSA | 37.30000 |
| LogP | 3.37 |
| InChIKey | ANRMAUMHJREENI-UHFFFAOYSA-N |
| SMILES | O=C(O)C=Cc1ccc(C(F)(F)F)cc1 |
| 外观性状 | 白色至淡黄色晶体粉末 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.526 |
| 储存条件 | 室温,干燥 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 26-37/39 |
| WGK德国 | 3 |
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~89%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Player, Mark R.; Dax, Scott L.; Parsons, William H.; Brandt, Michael Richard; Calvo, Raul R.; Patel, Sharmila; Liu, Jian; Cheung, Wing S.; Jetter, Michele C.; Lee, Yu-Kai; Youngman, Mark A.; Pan, Wenxi; Weils, Kenneth M.; Beauchamp, Derek A. Patent: US2007/259936 A1, 2007 ; Location in patent: Page/Page column 166-167; 171 ; US 20070259936 A1 |
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~90%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Saito, Shinichi; Nakagawa, Satomi; Koizumi, Toru; Hirayama, Kyoko; Yamamoto, Yoshinori Journal of Organic Chemistry, 1999 , vol. 64, # 11 p. 3975 - 3978 |
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~10%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Uozumi, Yasuhiro; Kimura, Tsutomu Synlett, 2002 , # 12 p. 2045 - 2048 |
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~%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 9 p. 3163 - 3167 |
|
~%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 9 p. 3163 - 3167 |
|
~%
反式-2-三氟甲基肉桂酸 2062-26-2 |
| 文献:Molecular Crystals and Liquid Crystals, , vol. 528, p. 138 - 146 |
| 反式-2-三氟甲基肉桂酸上游产品 8 | |
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| 反式-2-三氟甲基肉桂酸下游产品 6 | |
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Anticancer activity against human A375 cells after 48 hrs by MTT assay
来源:ChEMBL
靶标:A-375
External Id:CHEMBL1930596
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实验名称:Anticancer activity against human A549 cells after 48 hrs by MTT assay
来源:ChEMBL
靶标:A549
External Id:CHEMBL1930595
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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:Antiviral activity against HCV genotype 1b infected in human Huh7 cells at 10 uM afte...
来源:ChEMBL
靶标:Hepacivirus hominis
External Id:CHEMBL3396293
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实验名称:A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
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实验名称:Cytotoxicity against human HuH7 cells assessed as inhibition of cell viability at 10 ...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL3396294
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实验名称:Larvicidal activity against Aedes aegypti assessed as mortality at 45 ug/ml measured ...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4813798
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实验名称:Larvicidal activity against Aedes aegypti assessed as mortality at 100 ug/ml measured...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4813799
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| 3-[4-(Trifluoromethyl)phenyl]acrylic acid |
| trans-4-hydroxy-4'-pentyl-1,1'-bicyclohexane |
| EINECS 218-169-6 |
| 4-(Trifluoromethyl)cinnamic acid |
| MFCD00002696 |