((4-bromobenzyl)oxy)acetic acid结构式
|
常用名 | ((4-bromobenzyl)oxy)acetic acid | 英文名 | ((4-bromobenzyl)oxy)acetic acid |
|---|---|---|---|---|
| CAS号 | 82499-60-3 | 分子量 | 245.07000 | |
| 密度 | 1.571g/cm3 | 沸点 | 386.9ºC at 760 mmHg | |
| 分子式 | C9H9BrO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 187.8ºC |
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-bromobenzyl)oxy]acetic acid |
|---|
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 | 1.571g/cm3 |
|---|---|
| 沸点 | 386.9ºC at 760 mmHg |
| 分子式 | C9H9BrO3 |
| 分子量 | 245.07000 |
| 闪点 | 187.8ºC |
| 精确质量 | 243.97400 |
| PSA | 46.53000 |
| LogP | 2.05030 |
| InChIKey | ZIEXYIQTFZVRBI-UHFFFAOYSA-N |
| SMILES | O=C(O)COCc1ccc(Br)cc1 |
| 折射率 | 1.573 |
本表为化学品安全说明书MSDS数据,包含危险标识、成分、急救、消防、泄漏处置、操作储存等安全信息。
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 | 2918990090 |
|---|
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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~97%
((4-bromobenzyl... 82499-60-3 |
| 文献:BRISTOL-MYERS SQUIBB COMPANY Patent: WO2007/76431 A1, 2007 ; Location in patent: Page/Page column 224 ; WO 2007/076431 A1 |
|
~74%
((4-bromobenzyl... 82499-60-3 |
| 文献:INCEPTION 2, INC.; STOCK, Nicholas, Simon; CHEN, Austin, Chih-Yu; BRAVO, Yalda, Mostofi; JACINTHO, Jason, Duarte; SCOTT, Jill, Melissa; STEARNS, Brian, Andrew; CLARK, Ryan, Christopher; TRUONG, Yen, Pham Patent: WO2013/134562 A1, 2013 ; Location in patent: Paragraph 00165 ; |
|
~60%
((4-bromobenzyl... 82499-60-3 |
| 文献:Linn, Kathleen; Kuethe, Jeffrey T.; Peng, Zhihui; Yasuda, Nobuyoshi Tetrahedron Letters, 2008 , vol. 49, # 23 p. 3762 - 3765 |
|
~68%
((4-bromobenzyl... 82499-60-3 |
| 文献:Abraham; Mehanna; Williams Journal of Medicinal Chemistry, 1982 , vol. 25, # 9 p. 1015 - 1017 |
|
~%
((4-bromobenzyl... 82499-60-3 |
| 文献:Abraham, D. J.; Kennedy, P. E.; Mehanna, A. S.; Patwa, D. C.; Williams, F. L. Journal of Medicinal Chemistry, 1984 , vol. 27, # 8 p. 967 - 978 |
|
~%
((4-bromobenzyl... 82499-60-3 |
| 文献:INCEPTION 2, INC.; STOCK, Nicholas, Simon; CHEN, Austin, Chih-Yu; BRAVO, Yalda, Mostofi; JACINTHO, Jason, Duarte; SCOTT, Jill, Melissa; STEARNS, Brian, Andrew; CLARK, Ryan, Christopher; TRUONG, Yen, Pham Patent: WO2013/134562 A1, 2013 ; |
|
~%
((4-bromobenzyl... 82499-60-3 |
| 文献:Viout; Gault Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1953 , vol. 237, p. 1162 |
|
~%
((4-bromobenzyl... 82499-60-3 |
| 文献:Viout; Gault Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1953 , vol. 237, p. 1162 |
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-bromobenzyl)oxy)acetic acid上游产品 5 | |
|---|---|
| ((4-bromobenzyl)oxy)acetic acid下游产品 0 | |
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 | 2918990090 |
|---|---|
| 中文概述 | 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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:Compound was evaluated, at a concentration of 10 mM acid, for its ability to increase...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL626709
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实验名称:Compound was evaluated, at a concentration of 20 mM acid, for its ability to increase...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL626710
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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:Compound was evaluated, at a concentration of 40 mM acid, for its ability to increase...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL626711
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实验名称:Compound was evaluated, at a concentration of 5 mM acid, for its ability to increase ...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL626712
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|
实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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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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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: 82499-60-3的LogP(油水分配系数)是多少? |
| A: 82499-60-3LogP(油水分配系数)为2.05030。 |
| Q: 82499-60-3的CAS号是多少? |
| A: 82499-60-3CAS号为82499-60-3。 |
| Q: 82499-60-3的上游原料有哪些? |
| A: 82499-60-3相关上游原料(CAS):79-08-3;873-75-6;79-11-8;64-69-7;589-17-3。 |
| Q: 82499-60-3的沸点是多少? |
| A: 82499-60-3沸点为386.9ºC at 760 mmHg。 |
| Q: 82499-60-3的英文名称是什么? |
| A: 82499-60-3英文名称为2-[(4-bromobenzyl)oxy]acetic acid。 |
| Q: 82499-60-3的极性表面积PSA是多少? |
| A: 82499-60-3极性表面积PSA为46.53000。 |
| Q: 82499-60-3的中文名称是什么? |
| A: 82499-60-3的中文名称为82499-60-3。 |
| Q: 82499-60-3的InChIKey是什么? |
| A: 82499-60-3InChIKey为ZIEXYIQTFZVRBI-UHFFFAOYSA-N。 |
| Q: 82499-60-3的分子式是什么? |
| A: 82499-60-3分子式为C9H9BrO3。 |
| Q: 82499-60-3的SMILES表达式是什么? |
| A: 82499-60-3SMILES表达式为O=C(O)COCc1ccc(Br)cc1。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
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