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.