Name | Diethyl nitromalonate |
Synonyms | DIETHYL NITROMALONATE Diethyl nitromalonate diethyl 2-nitromalonate diethyl nitropropanedioate 2-Nitromalonic acid diethyl diethyl 2-nitropropanedioate 2-butyl-2-nitropropanedioate Nitromalonic acid diethyl ester 2-nitromalonic acid diethyl ester |
CAS | 603-67-8 |
EINECS | 210-052-8 |
InChI | InChI=1/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3 |
Molecular Formula | C7H11NO6 |
Molar Mass | 205.17 |
Density | 1.174 g/mL at 25 °C (lit.) |
Boling Point | 78-80 °C/0.2 mmHg (lit.) |
Flash Point | >230°F |
Vapor Presure | 0.00247mmHg at 25°C |
pKa | 6.46±0.59(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | n20/D 1.428(lit.) |
Physical and Chemical Properties | Colorless liquid, boiling point 78-80 °c (26.7). |
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. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
Use | organic synthesis intermediates. |
production method | diethyl malonate was cooled to 12 °c, fuming nitric acid was added dropwise under stirring, and the reaction was maintained at 15-20 °c. After about 4H of reaction, the reaction solution was put into ice water, extracted with toluene, and the toluene extract was washed with water and 5% urea solution in turn. Then the diethyl nitromalonate in the toluene extract was extracted with 10% sodium carbonate solution, and acidified with hydrochloric acid until Congo red color change. The acidified solution was extracted with toluene again, and the toluene extract was distilled off under reduced pressure and then distilled under reduced pressure, fractions were collected at 81-83 °c (40PA) to give diethyl nitromalonate. |