4-(1H-1,2,4-三唑-1-基)苯甲醛结构式
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常用名 | 4-(1H-1,2,4-三唑-1-基)苯甲醛 | 英文名 | 4-[1,2,4]Triazol-1-yl-benzaldehyde |
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| CAS号 | 27996-86-7 | 分子量 | 173.171 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 369.2±44.0 °C at 760 mmHg | |
| 分子式 | C9H7N3O | 熔点 | 147ºC | |
| MSDS | N/A | 闪点 | 177.1±28.4 °C |
| 中文名 | 4-(1-1,2,4-三唑基)苯甲醛 |
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| 英文名 | 4-(1H-1,2,4-Triazol-1-yl)benzenecarbaldehyde |
| 中文别名 | 4-(1H-1,2,4-噻唑-1-基)苯甲醛 | 4-(1,2,4-三唑-1-基)苯甲醛 | 1-(4-甲酰基苯基)-1,2,4-三唑 | 1-(4-甲酰基苯基)-1H-1,2,4-三唑 | 4-(1氢-1,2,4-三唑-1-基)苯甲醛 |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
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| 沸点 | 369.2±44.0 °C at 760 mmHg |
| 熔点 | 147ºC |
| 分子式 | C9H7N3O |
| 分子量 | 173.171 |
| 闪点 | 177.1±28.4 °C |
| 精确质量 | 173.058914 |
| PSA | 47.78000 |
| LogP | 0.75 |
| InChIKey | TVEJNWMWDIXPAX-UHFFFAOYSA-N |
| SMILES | O=Cc1ccc(-n2cncn2)cc1 |
| 外观性状 | 固体;Light orange to Yellow to Green powder to crystal |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.643 |
| 储存条件 | 存放于惰性气体之中;避免空气 |
| 水溶解性 | 微溶:甲醇 |
| 危害码 (欧洲) | Xi: Irritant; |
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| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | 22-26-36/37/39 |
| 海关编码 | 2933990090 |
| 4-(1H-1,2,4-三唑-1-基)苯甲醛上游产品 5 | |
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| 4-(1H-1,2,4-三唑-1-基)苯甲醛下游产品 1 | |
| 海关编码 | 2933990090 |
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| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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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: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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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
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| 4-[1,2,4]Triazol-1-yl-benzaldehyde |
| MFCD02681969 |
| 4-(1,2,4-Triazol-1-yl)benzaldehyde |
| 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde |
| 1-(4-Formylphenyl)-1,2,4-triazole |