3-羟基苯甲酰肼结构式
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常用名 | 3-羟基苯甲酰肼 | 英文名 | 3-Hydroxybenzohydrazide |
|---|---|---|---|---|
| CAS号 | 5818-06-4 | 分子量 | 152.15100 | |
| 密度 | 1.318g/cm3 | 沸点 | N/A | |
| 分子式 | C7H8N2O2 | 熔点 | 157-159°C | |
| MSDS | 中文版 美版 | 闪点 | N/A | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 3-羟基苯酰肼 |
|---|---|
| 英文名 | 3-hydroxybenzhydrazide |
| 英文别名 | 更多 |
| 密度 | 1.318g/cm3 |
|---|---|
| 熔点 | 157-159°C |
| 分子式 | C7H8N2O2 |
| 分子量 | 152.15100 |
| 精确质量 | 152.05900 |
| PSA | 75.35000 |
| LogP | 1.08690 |
| InChIKey | OACGSLLKFCMXSX-UHFFFAOYSA-N |
| SMILES | NNC(=O)c1cccc(O)c1 |
| 外观性状 | 固体;White to Light yellow powder to crystal |
| 折射率 | 1.622 |
| 储存条件 | 常温,避光,阴凉干燥处,密封保存 |
| 稳定性 | 常温常压下稳定 |
| 水溶解性 | 可溶于:甲醇 |
| 分子结构 | 1、 摩尔折射率:40.65 2、 摩尔体积(m3/mol):115.3 3、 等张比容(90.2K):324.6 4、 表面张力(dyne/cm):62.7 5、 极化率(10 -24cm 3):16.11 |
| 计算化学 | 1、 疏水参数计算参考值(XlogP):-0.1 2、 氢键供体数量:3 3、 氢键受体数量:3 4、 可旋转化学键数量:1 5、 互变异构体数量:13 6、 拓扑分子极性表面积(TPSA):75.4 7、 重原子数量:11 8、 表面电荷:0 9、 复杂度:149 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. 性状:未确定 2. 密度(g/mL,25/4℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):157-159 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5.2kPa):未确定 7. 折射率:未确定 8. 闪点(ºC):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(kPa,25ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:未确定 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39-S36 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2928000090 |
|
~80%
3-羟基苯甲酰肼 5818-06-4 |
| 文献:Zaheer, Muhammad; Zia-Ur-Rehman, Muhammad; Rahman, Salma; Ahmed, Naveed; Chaudhary, Muhammad Nawaz Journal of the Chilean Chemical Society, 2012 , vol. 57, # 4 p. 1492 - 1496 |
|
~%
3-羟基苯甲酰肼 5818-06-4 |
| 文献:Arzneimittel-Forschung/Drug Research, , vol. 61, # 8 p. 452 - 457 |
|
~%
3-羟基苯甲酰肼 5818-06-4 |
| 文献:Journal fuer Praktische Chemie (Leipzig), , vol. <2> 52, p. 234 |
| 海关编码 | 2928000090 |
|---|---|
| 中文概述 | 2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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 | 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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Structure activity relationship of brevenal hydrazide derivatives.
Mar. Drugs 12(4) , 1839-58, (2014) Brevenal is a ladder frame polyether produced by the dinoflagellate Karenia brevis. This organism is also responsible for the production of the neurotoxic compounds known as brevetoxins. Ingestion or ... |
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N'-[4-(Dimethylamino) benzylidene]-3-hydroxybenzohydrazide. Nie Y.
Acta Crystallogr. Sect. E Struct. Rep. Online 64(2) , 471, (2008)
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N'-(5-Bromo-2-hydroxybenzylidene)-3-hydroxybenzohydrazide. Nie Y.
Acta Crystallogr. Sect. E Struct. Rep. Online 64(2) , o514, (2008)
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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
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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
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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
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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
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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
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实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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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
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| 3-hydroxybenzohydrazide |
| MFCD00014759 |
| EINECS 227-389-1 |