ChemicalBook
製品カタログ
分析化学
スタンダード
薬局方の規格や雑誌の規格
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
![(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione 化学構造式](https://www.chemicalbook.com/CAS/20180527/GIF/2088771-61-1.gif)
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
化学名:(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
CAS番号.2088771-61-1
英語名:(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
CBNumberCB23371367
MFC16H13F6N5O2
MW421.3
MOL File2088771-61-1.mol
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione物理性質
| 融点 | >189°C (dec.) |
| 比重(密度) | 1.67±0.1 g/cm3(Predicted) |
| 貯蔵温度 | -20°C Freezer, Under inert atmosphere |
| 溶解性 | DMSO（微量）、メタノール（微量） |
| 酸解離定数(Pka) | 12.02±0.40(Predicted) |
| 外見 | 個体 |
| 色 | ホワイトからオフホワイト |
| InChI | InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1 |
| InChIKey | CJUCSNDPMOGZTM-MRVPVSSYSA-N |
| SMILES | N1[C@H](CC2=CC(F)=C(F)C=C2F)CC(=O)NCCN2C(C(F)(F)F)=NN=C2C1=O |