Molecular Formula | C6H9N3O2 |
Molar Mass | 155.15 |
Density | 1.288±0.06 g/cm3(Predicted) |
Melting Point | 295 °C (dec.) (lit.) |
Boling Point | 243.1±43.0 °C(Predicted) |
Flash Point | 100.8°C |
Water Solubility | 7.06g/L(25 ºC) |
Solubility | 6g/l |
Vapor Presure | 0Pa at 25℃ |
Appearance | Powder |
Color | Pale Beige |
pKa | 5.17±0.70(Predicted) |
PH | 6.9 (100g/l, H2O, 20℃) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Refractive Index | 1.55 |
MDL | MFCD00006552 |
Physical and Chemical Properties | Crystallization (water). Melting point 295 C (293 c) decomposition. |
Use | Used as a pharmaceutical Intermediate |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
WGK Germany | 1 |
RTECS | YQ8755000 |
HS Code | 29335990 |
LogP | -0.4 at 20℃ |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | an intermediate of caffeine. used as pharmaceutical intermediates |
production method | with cyanoacetic acid and dimethyl urea in acetic anhydride with the participation of heating condensation to produce dimethyl cyanoacetourea, the product is then prepared by cyclization under alkaline conditions. |