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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

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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.