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 place
synthesis 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 place
synthesis method
none yet
purpose
3. purpose
used in organic synthesis.
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