| Melting point |
233-234°C |
| Boiling point |
393.35°C (rough estimate) |
| Density |
1.2171 (rough estimate) |
| refractive index |
1.6110 (estimate) |
| storage temp. |
Keep in dark place,Inert atmosphere,Room temperature |
| solubility |
Prepare the solution immediately before use. Dissolve 0.25 g in a mixture of 1 volume of methanol R and 3 volumes of methylene chloride R and dilute to 10 mL with the same mixture of solvents. The solution is clear (2.2.1) and not more intensely coloured than reference solution BY6 (2.2.2, Method II). |
| form |
Solid |
| pka |
pKa 7(t=20.0) (Uncertain) |
| color |
White to Off-White |
| Water Solubility |
<0.01 g/100 mL at 21 ºC |
| λmax |
276nm(lit.) |
| Merck |
14,7985 |
| BRN |
219864 |
| Henry's Law Constant |
9.1×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
2 (CLogP), 4
(LogP),3 |
| Stability |
Stable, but light sensitive. Combustible. Incompatible with strong oxidizing agents. |
| Major Application |
clinical testing |
| InChI |
1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey |
WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| SMILES |
CCC1=NC(N)=NC(N)=C1C2=CC=C(Cl)C=C2 |
| CAS DataBase Reference |
58-14-0(CAS DataBase Reference) |
| IARC |
3 (Vol. 13, Sup 7) 1987 |
| NIST Chemistry Reference |
Pyrimethamine(58-14-0) |
| EPA Substance Registry System |
Pyrimethamine (58-14-0) |
