Purpuric acid

Structural formula

• 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: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.

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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.