Purpuric acid

Purpuric acid structural formula

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. Polarizability10-24cm3):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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28359

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