Polyether_Polyether Polyol Knowledge 2,4,5-Imidazolinetrione 2,4,5-Imidazolinetrione

2,4,5-Imidazolinetrione 2,4,5-Imidazolinetrione

2,4,5-Imidazolintrione structural formula

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 volumem3/ mol70.2


3. isotonic ratio90.2K192.4


4. Surface Tension(dyne/cm)56.2


5. Dielectric constant:


6. Dipole moment10 -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 moment10 -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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