| Identification | |
| Name: | 1H-Benzimidazole,2-(difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)- |
| Synonyms: | 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine; |
| CAS: | 475110-96-4 |
| Molecular Formula: | C19H21F2N7O2 |
| Molecular Weight: | 417.41 |
| InChI: | InChI=1/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.57 |
| Refractive index: | 1.711 |
| Appearance: | white powder |
| Specification: |
The 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine is an organic compound with the formula C19H21F2N7O2. The systematic name of this chemical is 2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-benzimidazole. With the CAS registry number 475110-96-4, it is also named as TCMDC-137004. It is white powder which should be stored at the temperature of -20 °C. The other characteristics of 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine can be summarized as: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17; (6)ACD/KOC (pH 7.4): 18; (7)#H bond acceptors: 9; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.43 Å2; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 103.969 cm3; (13)Molar Volume: 265.688 cm3; (14)Polarizability: 41.217×10-24 cm3; (15)Surface Tension: 58.272 dyne/cm; (16)Density: 1.571 g/cm3; (17)Flash Point: 341.021 °C; (18)Enthalpy of Vaporization: 94.531 kJ/mol; (19)Boiling Point: 640.267 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
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