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2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile
产品别名
627530-84-1
2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile
BMS 564929
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C14H12ClN3O3 |
| Molecular weight | 305.72 |
| Beilstein | 11053870 |
| MDL number | MFCD15146692 |
| PubChem Substance ID【PubChem化学物质编号】 | 329760209 |
| NACRES | NA.24 |
| Application【应用】 | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
产品性质
| grade【等级】 | analytical standard |
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | ≥98.0% (TLC) |
| shelf life【保质期】 | limited shelf life, expiry date on the label |
| technique(s) | HPLC: suitable gas chromatography (GC): suitable |
| application(s) | forensics and toxicology pharmaceutical (small molecule) |
| format【格式】 | neat |
| SMILES string | O=C([C@@]1([H])N2CC[C@H]1O)N(C3=C(C)C(Cl)=C(C#N)C=C3)C2=O |
| InChI | 1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1 |
| InChI key | KEJORAMIZFOODM-PWSUYJOCSA-N |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H302 |
| Hazard Classifications【危险分类】 | Acute Tox. 4 Oral |
| Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
