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5,6-二氯苯并咪唑

更新时间:2025-08-25 17:47:26

5,6-二氯苯并咪唑结构式
5,6-二氯苯并咪唑结构式
品牌特惠专场
常用名 5,6-二氯苯并咪唑 英文名 5,6-Dichloro-1H-benzo[d]imidazole
CAS号 6478-73-5 分子量 187.026
密度 1.6±0.1 g/cm3 沸点 426.9±25.0 °C at 760 mmHg
分子式 C7H4Cl2N2 熔点 205-206ºC
MSDS N/A 闪点 244.6±8.8 °C

 5,6-二氯苯并咪唑名称

中文名 5-甲基苯并咪唑
英文名 5,6-Dichlorobenzimidazole
中文别名 5,6-二氯苯并咪唑
英文别名 更多

 5,6-二氯苯并咪唑物理化学性质

密度 1.6±0.1 g/cm3
沸点 426.9±25.0 °C at 760 mmHg
熔点 205-206ºC
分子式 C7H4Cl2N2
分子量 187.026
闪点 244.6±8.8 °C
精确质量 185.975159
PSA 28.68000
LogP 2.75
InChIKey IPRDZAMUYMOJTA-UHFFFAOYSA-N
SMILES Clc1cc2nc[nH]c2cc1Cl
外观性状 固体;White to Light yellow to Light orange powder to crystal
蒸汽压 0.0±1.0 mmHg at 25°C
折射率 1.708
储存条件 室温,干燥
计算化学

1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:1

3.氢键受体数量:1

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:28.7

7.重原子数量:11

8.表面电荷:0

9.复杂度:153

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

 5,6-二氯苯并咪唑MSDS

 5,6-二氯苯并咪唑安全信息

危害码 (欧洲) Xi
风险声明 (欧洲) 36/37/38
安全声明 (欧洲) 26-36

 5,6-二氯苯并咪唑合成线路

~95%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Wu, Wen-Lian; Burnett, Duane A.; Caplen, Mary Ann; Domalski, Martin S.; Bennett, Chad; Greenlee, William J.; Hawes, Brian E.; O'Neill, Kim; Weig, Blair; Weston, Daniel; Spar, Brian; Kowalski, Timothy Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 14 p. 3674 - 3678

~75%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Kuntz, Kevin; Emmitte, Kyle Allen; Rheault, Tara Renae; Smith, Stephon; Hornberger, Keith; Dickson, Hamilton; Cheung, Mui Patent: US2008/300247 A1, 2008 ; Location in patent: Page/Page column 107 ;

~93%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Wang, Fen; Tran-Dube, Michelle; Scales, Stephanie; Johnson, Sarah; McAlpine, Indrawan; Ninkovic, Sacha Tetrahedron Letters, 2013 , vol. 54, # 31 p. 4054 - 4057

~40%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Jacquet, Olivier; DasNevesGomes, Christophe; Ephritikhine, Michel; Cantat, Thibault ChemCatChem, 2013 , vol. 5, # 1 p. 117 - 120

~%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Biochemische Zeitschrift, , vol. 327, p. 422,447

~%

5,6-二氯苯并咪唑结构式

5,6-二氯苯并咪唑

6478-73-5

文献:Zeitschrift fuer Naturforschung, , vol. 6b, p. 25,33

 5,6-二氯苯并咪唑靶点实验

查看更多实验

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
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:The compound was tested in vitro against the protozoa Giardia lamblia, for the inhibi...
来源:ChEMBL
靶标:Giardia intestinalis
External Id:CHEMBL682614
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: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
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.
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: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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 5,6-二氯苯并咪唑英文别名

MFCD00211325
5,6-Dichloro-1H-benzimidazole
5,6-DICHLOROBENZIMIDAZOLE
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