2,4,5-Imidazolinetrione 2,4,5-Imidazolinetrione
Structural formula
| Business number | 03CY |
|---|---|
| Molecular formula | C3H2N2O3 |
| Molecular weight | 114.06 |
| label |
Parabanic acid (oxalyl urea), 2,4,5-Imidazolintrione, oxaliurea, Imidazolidinone, Ethylene glycol urea, 2,4,5-Trioxoimidazolidine, Imidazolidinetrione, Oxalylurea, parabanic acid, N,N’-Oxalylurea, 2,4,5-Imidazolinetrione, Heterocyclic compounds |
Numbering system
CAS number:120-89-8
MDL number:MFCD00014493
EINECS number:204-434-3
RTECS number:None
BRN number:None
PubChem number:24278003
Physical property data
1. Character:White needle-shaped or prism crystal
2. Melting point (℃):230
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 20.92 2. Molar volume（m3/ mol）：70.2 3. isotonic ratio（90.2K）：192.4 4. Surface Tension(dyne/cm)：56.2 5. Dielectric constant: 6. Dipole moment（10 -24cm3)： 7. Polarizability8.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 75.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 155
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
White needle-like or prism crystals. Easy to absorb moisture. Sublimates at 100℃. Its salts are unstable. Can be decomposed by boiling alkali. Soluble in 20 parts of water and ethanol, slightly soluble in ether. The melting point is about 230℃ (decomposes at 243℃). Irritating.Storage method
2. Storage:
Store in a sealed, cool and dry placeSynthesis method
None yet
Purpose
3. Purpose
Used in organic synthesis.
i-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial; mso-font-kerning: 0pt”>）：56.2
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability8.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 75.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 155
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
White needle-like or prism crystals. Easy to absorb moisture. Sublimates at 100℃. Its salts are unstable. Can be decomposed by boiling alkali. Soluble in 20 parts of water and ethanol, slightly soluble in ether. The melting point is about 230℃ (decomposes at 243℃). Irritating.Storage method
2. Storage:
Store in a sealed, cool and dry placeSynthesis method
None yet
Purpose
3. Purpose
Used in organic synthesis.