5,6,7,8-四羟基-2-萘甲酸结构式
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常用名 | 5,6,7,8-四羟基-2-萘甲酸 | 英文名 | 5,6,7,8-Tetrahydro-2-naphthalenecarboxylic acid |
|---|---|---|---|---|
| CAS号 | 1131-63-1 | 分子量 | 176.212 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 332.4±31.0 °C at 760 mmHg | |
| 分子式 | C11H12O2 | 熔点 | 152-156 °C | |
| MSDS | 中文版 美版 | 闪点 | 152.5±19.5 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 5,6,7,8-四羟基-2-萘甲酸 |
|---|---|
| 英文名 | 5,6,7,8-tetrahydro-2-naphthoic acid |
| 中文别名 | 5,6,7,8-四氢-2-萘甲酸 |
| 英文别名 | 更多 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 332.4±31.0 °C at 760 mmHg |
| 熔点 | 152-156 °C |
| 分子式 | C11H12O2 |
| 分子量 | 176.212 |
| 闪点 | 152.5±19.5 °C |
| 精确质量 | 176.083725 |
| PSA | 37.30000 |
| LogP | 3.58 |
| InChIKey | RSWXAGBBPCRION-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc2c(c1)CCCC2 |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.586 |
| 储存条件 | 室温 |
| 分子结构 | 1、 摩尔折射率:49.96 2、 摩尔体积(cm3/mol):148.7 3、 等张比容(90.2K):395.6 4、 表面张力(dyne/cm):49.9 5、 极化率(10-24cm3):19.80 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):2.8 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积37.3 7.重原子数量:13 8.表面电荷:0 9.复杂度:200 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1.密度(g/cm3):1.184 2.熔点(ºC):152-156 3.沸点(760 mmHg,ºC):332.4 4.闪点(ºC):152.5 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302 |
| 危害码 (欧洲) | Xi: Irritant;Xn: Harmful; |
| 风险声明 (欧洲) | R22 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2916399090 |
| 5,6,7,8-四羟基-2-萘甲酸上游产品 10 | |
|---|---|
| 5,6,7,8-四羟基-2-萘甲酸下游产品 4 | |
| 海关编码 | 2916399090 |
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| 中文概述 | 2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装 |
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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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:A screen for small molecules that modulate mitochondrial supercomplex formation
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1482
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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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: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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实验名称:Stabilization of p53 in human papillomavirus-positive cells
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Cellular tumor antigen p53
External Id:HMS1485
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实验名称:Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
来源:15621
靶标:G protein-activated inward rectifier potassium channel 2
External Id:VANDERBILT_HTS_GIRK2_MPD
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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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| 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
| MFCD01861899 |
| EINECS 214-469-6 |
| 5,6,7,8-Tetrahydro-2-naphthalenecarboxylic acid |
| 5,6,7,8-Tetrahydro-naphthalene-2-carboxylic acid |