Product Description
| Product | C06817 |
| CAS | 28981-97-7 |
| Formula | C17H13ClN4 |
| Synonym | 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine, D 65MT, U 31889, TUS-1, Xanax, Alplax, Taf |
Typical Product Specifications
| Storage Temperature | 2-8°C |
| Flash Point | 11 °C |
| Solubility | H2O: insoluble |
| Molecular weight | 308.77 |
| EINECS | 249-349-2 |
| SMILES | c12c(C(c3ccccc3)=NCc3n1c(nn3)C)cc(Cl)cc2 |
| InChI | 1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 |
| Vapor Pressure | 1.65E-08 mm Hg |
| Water solubility | 13.1 mg/L |
| Atmospheric OH Rate Constant | 7.62E-12 cm3/molecule-sec |
| Henry's Law Constant | 9.77E-12 atm-m3/mole |
| log P (octanol-water) | 2.12 |
| Melting Point | 228-228.50C |
| Class | Specialty Chemicals, Toxic Release Inventory (TRI) Chemicals |
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