Structural formula
| Business number | 01XW |
|---|---|
| Molecular formula | C4H3N3O4 |
| Molecular weight | 157.08 |
| label |
5-Hydroxyiminobarbituric acid, Purpuric acid, 5-Isonitrosobarbituric acid, 2,4,5,6(1H,3H)-Pyrimidinetetrone 5-oxime |
Numbering system
CAS number:87-39-8
MDL number:MFCD00006032
EINECS number:201-741-4
RTECS number:BA4225000
BRN number:162342
PubChem number:24890094
Physical property data
1. Character: colorless orthorhombic crystal 2. Density (g/mL,25/4℃): Undetermined 3. Relative vapor density (g/mL,AIR=1): Undetermined 4. Melting point (ºC):240-250 °C 5. Boiling point (ºC,Normal pressure): Undetermined 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive index: Undetermined 8. Flash Point (ºC): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12.
1. Molar refractive index: 30.99
2. Molar volume (m3/mol）：71.6
3. isotonic specific volume (90.2K):235.9
4. Surface Tension (dyne/cm):117.8
5. Polarizability（10-24cm3):12.28
Compute chemical data
1. Reference value for calculation of hydrophobic parameters (XlogP): -0.2
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 15
6. Topological molecule polar surface area 108
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 247
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
None yet
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
Check Ammonium, barium, calcium, copper, lead, magnesium, mercury, potassium, sodium and strontium. Copper complex indicator.
��108
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 247
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13 .Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
Check Ammonium, barium, calcium, copper, lead, magnesium, mercury, potassium, sodium and strontium. Copper complex indicator.
