6-硝基四氯苯酞结构式
|
常用名 | 6-硝基四氯苯酞 | 英文名 | 6-NITROPHTHALIDE |
|---|---|---|---|---|
| CAS号 | 610-93-5 | 分子量 | 179.13000 | |
| 密度 | 1.519g/cm3 | 沸点 | 413.4ºC at 760 mmHg | |
| 分子式 | C8H5NO4 | 熔点 | 140-145 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 229.6ºC |
| 中文名 | 6-硝基苯酞 |
|---|---|
| 英文名 | 6-Nitrophthalide |
| 中文别名 | 6-硝基-1,3-二氢异苯并呋喃-1-酮 | 6-硝基四氯苯酞 | 6-硝苯酞酯 |
| 英文别名 | 更多 |
| 密度 | 1.519g/cm3 |
|---|---|
| 沸点 | 413.4ºC at 760 mmHg |
| 熔点 | 140-145 °C(lit.) |
| 分子式 | C8H5NO4 |
| 分子量 | 179.13000 |
| 闪点 | 229.6ºC |
| 精确质量 | 179.02200 |
| PSA | 72.12000 |
| LogP | 1.78840 |
| InChIKey | RNWGZXAHUPFXLL-UHFFFAOYSA-N |
| SMILES | O=C1OCc2ccc([N+](=O)[O-])cc21 |
| 外观性状 | 淡黄色结晶粉末 |
| 折射率 | 1.632 |
| 储存条件 | 贮存: 将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。 |
| 稳定性 | 性质与稳定性: 常温常压下,或不分解产物。 |
| 分子结构 | 五、分子性质数据: 1、 摩尔折射率:42.09 2、 摩尔体积(m3/mol):117.9 3、 等张比容(90.2K):335.0 4、 表面张力(dyne/cm):65.1 5、 极化率(10 -24cm 3):16.68 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积72.1 7.重原子数量:13 8.表面电荷:0 9.复杂度:247 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 |
| 海关编码 | 2932209090 |
|---|---|
| 中文概述 | 2932209090. 其他内酯. 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 |
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
1044. Bisquaternary salts related to quinapyramine (Antrycide). Replacement of the quinoline nucleus by other heterocycles. Berg SS and Parnell EW.
J. Chem. Soc. , 5275-5284, (1961)
|
|
|
Hydrogenation of substituted phthalic anhydrides over palladium. McAlees AJ, et al.
J. Chem. Soc. Perkin Trans. I 18 , 2030-2036, (1977)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
实验名称:MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
来源:Broad Institute
靶标:N/A
External Id:2084-01_Activator_SinglePoint_HTS_Activity
|
| MFCD00033529 |
| 6-nitro-3H-2-benzofuran-1-one |