Malonamide Malonamide
Structural formula
| Business number | 02WG |
|---|---|
| Molecular formula | C3H6N2O2 |
| Molecular weight | 102.09 |
| label |
Malonodiamide, CH2(CONH2)2 |
Numbering system
CAS number:108-13-4
MDL number:MFCD00008034
EINECS number:203-553-8
RTECS number:ON9125000
BRN number:1751401
PubChem number:24847915
Physical property data
1. Properties: White monoclinic needle-like crystals.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 172-175
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20): Not determined
8. Flash point (ºC): Not determined
8. p>
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg , 25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient : Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Insoluble in alcohol, ether and benzene.
Toxicological data
1. Skin/eye irritation
Standard Draize test: rabbit, skin contact: 500mg, severity of reaction: moderate.
Standard Draize test: Rabbit, eye contact: 100mg/4s, severity of reaction: severe.
2. Acute toxicity: Mouse oral LD50: 6mg/kg; Mouse abdominal LD50: >3mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 23.07
2. Molar volume (cm3/mol): 79.6
3. Isotonic specific volume (90.2K ): 219.7
4. Surface tension (dyne/cm): 57.8
5. Polarizability (10-24cm3): 9.14
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.8
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
p>
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 5
6. Topological molecule polar surface area 86.2
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 87.1
10. Isotopic origin��Number: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Obtained from the reaction of diethyl malonate and ammonia. Add ammonia water into the enamel bucket, cool it to below 25°C, slowly add diethyl malonate while stirring, the reaction temperature is about 20°C, and leave it at room temperature for two days after the reaction is completed. Filter out the crystals at the bottom, concentrate under reduced pressure, add decolorizing carbon, filter through suction, cool the crystals, dry at 80°C, and crush to obtain the finished product.
Purpose
Used as raw material for organic synthesis.