1004-38-2
2,4,6-Triaminopyrimidine
CAS: 1004-38-2
Molecular Formula: C4H7N5
1004-38-2 - Names and Identifiers
| 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 |
1004-38-2 - Physico-chemical Properties
| 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 |
1004-38-2 - Risk and Safety
| 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 |
1004-38-2 - Reference Information
| 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. |
Last Update：2024-04-10 22:29:15
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