Molecular Formula | C4H7N3O2S |
Molar Mass | 161.18 |
Melting Point | >300°C(lit.) |
Boling Point | 557°C at 760 mmHg |
Flash Point | 290.7°C |
Water Solubility | Soluble in water and DMSO. |
Solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
Vapor Presure | 3.03E-13mmHg at 25°C |
Appearance | White Powder |
Color | Off-White to Pale Yellow |
BRN | 5795441 |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
MDL | MFCD00052384 |
Physical and Chemical Properties | Commercial product with a purity of 98%, melting point> 330 °c. |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | UW0495000 |
TSCA | Yes |
HS Code | 29335990 |
Use | pharmaceutical intermediates. For the production of anti-malignant tumor drug 6-mercaptopurine. |
production method | ethyl cyanoacetate and thiourea are cyclized to obtain: anhydrous ethanol and sodium ethoxide are added to the dry reaction tank, after heating to 76 °c with stirring, thiourea was added, and ethyl cyanoacetate was added dropwise at reflux. After addition, reflux was maintained for 4H, cooled to 30 °c, and filtered to obtain a crude product. Add 3.5 times water to dissolve, put into activated carbon decolorization, filtration, filtrate is heated to 90 deg C, stirring Dropwise add 40% acetic acid to pH4-5, cooling, filtration, to obtain the finished product. |