| Melting point |
195°C |
| Boiling point |
561.26°C (rough estimate) |
| alpha |
+17～+24°(D/20℃)(c=1,Na2CO3 soln.)(calculated on the dehydrous basis) |
| Density |
1.4080 (rough estimate) |
| refractive index |
1.6910 (estimate) |
| Flash point |
11℃ |
| storage temp. |
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility |
H2O: insoluble |
| form |
powder |
| pka |
pKa 3.04/4.99(H2O,t =25,I=0.0025) (Uncertain) |
| color |
Light yellow to yellow |
| biological source |
synthetic |
| optical activity |
Consistent with structure |
| Water Solubility |
Insoluble. <0.1 g/100 mL at 19 ºC |
| Sensitive |
Light Sensitive & Hygroscopic |
| Merck |
14,5985 |
| BRN |
70669 |
| BCS Class |
3 |
| Stability |
Stable, but light sensitive and hygroscopic. Incompatible with strong acids, strong oxidizing agents. Store at -15C or below. |
| Major Application |
pharmaceutical (small molecule) |
| InChIKey |
FBOZXECLQNJBKD-ZDUSSCGKSA-N |
| SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
| CAS DataBase Reference |
59-05-2(CAS DataBase Reference) |
| IARC |
3 (Vol. 26, Sup 7) 1987 |
| NIST Chemistry Reference |
Methotrexate(59-05-2) |
| EPA Substance Registry System |
Methotrexate (59-05-2) |
