Melting point: |
157-159°C |
Boiling point: |
529.0±60.0 °C(Predicted) |
Density |
1.43±0.1 g/cm3(Predicted) |
storage temp. |
2-8°C |
solubility |
DMSO: >20mg/mL |
pka |
9.68±0.10(Predicted) |
form |
powder |
color |
white to off-white |
Water Solubility |
7mg/L(25 ºC) |
Merck |
14,1956 |
BCS Class |
2 |
Stability: |
Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months. |
InChI |
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
InChIKey |
RZEKVGVHFLEQIL-UHFFFAOYSA-N |
SMILES |
C1(S(N)(=O)=O)=CC=C(N2C(C3=CC=C(C)C=C3)=CC(C(F)(F)F)=N2)C=C1 |
CAS DataBase Reference |
169590-42-5(CAS DataBase Reference) |
EPA Substance Registry System |
Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]- (169590-42-5) |