purpuric acid
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.