Name | 2,4,6-Triaminopyrimidine |
Synonyms | IFLAB-BB F1918-0050 2,4,6-Traminopyrimidne 2,4,6-Triamino Pyridine 2,4,6-PYRIMIDINETRIAMINE 2,4,6-TRIAMINOPYRIMIDINE 2,4,6-Triaminopyrimidine 2,4,6-pyrimidinet riamine pyrimidine-2,4,6-triamine 2,4,6-TRIAMINO PYRIMIDINE PYRIMIDINE-2,4,6-TRIAMINE Pyrimidine,2,4,6-triamino- pyrimidine-2,4,6-triyltriamine |
CAS | 1004-38-2 |
EINECS | 213-720-7 |
InChI | InChI=1/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9) |
InChIKey | JTTIOYHBNXDJOD-UHFFFAOYSA-N |
Molecular Formula | C4H7N5 |
Molar Mass | 125.13 |
Density | 1.2938 (rough estimate) |
Melting Point | 249-251 °C (lit.) |
Boling Point | 222.58°C (rough estimate) |
Flash Point | 308.2°C |
Water Solubility | 36.5 g/L (20 ºC) |
Vapor Presure | 0Pa at 25℃ |
Appearance | Crystallization |
Color | Off-white to beige |
BRN | 118448 |
pKa | 6.84(at 20℃) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Refractive Index | 1.7100 (estimate) |
MDL | MFCD00006100 |
Physical and Chemical Properties | Melting point 246-252°C water-soluble 36.5g/L (20°C) |
Use | For the synthesis of antitumor drugs, anticancer drugs and triamterene, methotrexate and other drugs |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29335990 |
LogP | -1.95 at 25℃ |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
use | this product is an intermediate of the drugs azopterin and azopterin. It is used for the synthesis of anti-tumor drugs, anti-cancer drugs, triamterene, methotrexate and other drugs 2,4, 6-triaminopyrimidine is an intermediate of the drugs methotrexate and methotrexate. |
Production method | Ethyl cyanoacetate is ammoniated to generate cyanoacetamide, and then malononitrile is obtained by elimination reaction, and finally 2,4, 6-triaminopyrimidine is obtained by cyclization. |