| Melting point: |
112-117° |
| Boiling point: |
465.4±55.0 °C(Predicted) |
| Density |
1.2990 (rough estimate) |
| vapor pressure |
A 6 x l0-7 Pa (20 °C); B 4 x l0-7 Pa (20 °C) |
| refractive index |
1.5270 (estimate) |
| Flash point: |
2 °C |
| storage temp. |
2-8°C |
| solubility |
DMSO (Slightly), Methanol (Slightly) |
| pka |
13.29±0.20(Predicted) |
| form |
Solid |
| Water Solubility |
A 62 mg l-1 (20 °C); B 33 mg l-1(20 °C) |
| color |
White to Off-White |
| Merck |
13,9667 |
| BRN |
616470 |
| Henry's Law Constant |
7.6×106 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI |
1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3 |
| InChIKey |
BAZVSMNPJJMILC-UHFFFAOYSA-N |
| SMILES |
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 |
| LogP |
2.900 |
| CAS DataBase Reference |
55219-65-3(CAS DataBase Reference) |
| NIST Chemistry Reference |
Triadimenol(55219-65-3) |
| EPA Substance Registry System |
Triadimenol (55219-65-3) |