|
|
| | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE Basic information |
| Product Name: | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE | | Synonyms: | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE;Iso Letrozole;Letrozole USP iMpurities;AMiodarone IMpurity-A;AMiodarone IMpurity-B;4,4'-(1H-1,3,4-triazol-1-ylMethylene)dibenzonitrile;Letrozole Related CoMpound A;4,4'-(4H-1,3,4-TRIAZOL-4-YLMETHYLENE)BIS | | CAS: | 112809-52-6 | | MF: | C17H11N5 | | MW: | 285.3 | | EINECS: | | | Product Categories: | | | Mol File: | 112809-52-6.mol |  |
| | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE Chemical Properties |
| Melting point | 239-243 °C | | Boiling point | 563.5±60.0 °C(Predicted) | | density | 1.21±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly, Heated), Methanol (Slightly) | | form | Solid | | pka | 2.48±0.10(Predicted) | | color | Off-White to Pale Yellow | | Major Application | pharmaceutical (small molecule) | | InChI | 1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-11-20-21-12-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H | | InChIKey | BCTXUGAAOFIJGX-UHFFFAOYSA-N | | SMILES | [n]3(cnnc3)C(c2ccc(cc2)C#N)c1ccc(cc1)C#N |
| WGK Germany | WGK 3 | | HS Code | 2933998350 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Repr. 2 STOT RE 2 |
| | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE Usage And Synthesis |
| Uses | Isoletrozole is an impurity of Letrozole (L330100). Letrozole impurity A as per USP. | | Uses | Isoletrozole (Letrozole EP Impurity A) is an impurity of Letrozole (L330100). Letrozole impurity A as per USP. |
| | 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE Preparation Products And Raw materials |
|