Pyroline Purpurin
Structural formula
| Business number | 01S8 |
|---|---|
| Molecular formula | C14H8O5 |
| Molecular weight | 256.21 |
| label |
1,2,4-Trihydroxyanthraquinone, 1,2,4-Trihydroxyanthraquinone |
Numbering system
CAS number:81-54-9
MDL number:MFCD00001203
EINECS number:201-359-8
RTECS number:CB8200000
BRN number:1887127
PubChem number:24888018
Physical property data
1. Character: Orange needle-like crystal or red needle-like crystal
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,air=1): Unsure
4. Melting point (ºC):253 -256
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure (kPa,60ºC): Unsure
Rabbit eye test: 500mg/24H;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 64.31
2. Molar volume (m3/mol）：154.3
3. isotonic specific volume (90.2K):480.4
4. Surface Tension (dyne/cm):93.9
5. Polarizability（10-24cm3):25.49
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.9
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: 30
6. Topological molecule polar surface area 94.8
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 407
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 dry and dark place.
Synthesis method
None yet
Purpose
Nuclear staining. Detects zirconium, boron, calcium and fluorine.
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.9
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: 30
6. Topological molecule polar surface area 94.8
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 407
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 dry and dark place.
Synthesis method
None yet
Purpose
Nuclear staining. Detects zirconium, boron, calcium and fluorine.
