Hematoxylin
Structural formula
| Business number | 05BV |
|---|---|
| Molecular formula | C16H14O6 |
| Molecular weight | 302.28 |
| label |
Sappan (wood) color, Reagents for histochemical research |
Numbering system
CAS number:517-28-2
MDL number:MFCD00005394
EINECS number:208-235-2
RTECS number:None
BRN number:112676
PubChem ID:None
Physical property data
1. Properties: Pure Soviet Fangmu is orange -yellow crystals
2. Density (G/CM 3 , 25/4 ° C): Not sure
3. Relative vapor density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 130℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 8kPa): Undetermined
7. Refractive index: Undetermined
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8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC ): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper limit of explosion (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in alcohol, ether and NaOH aqueous solution, insoluble in hydrocarbon solvents.
Toxicological data
Oncogenic data: Oral TDLo in rats: 400 mg/kg/26W-C, tumor RTECS standard, blood-lymphoma, including Hodgkin’s disease.
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.2
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 693
6. Topological molecular polar surface area (TPSA): 110
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7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 444
10. Number of isotope atoms :0
11. Determine the number of atomic stereocenters: 2
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications. It will not decompose and avoid contact with oxides.
Storage method
Non-toxic plastic bag coated with kraft paper bag packaging. Store in a cool, dry and dark place.
Synthesis method
It is extracted from the core material of hematoxylin by water leaching and then refined.
Purpose
Can be used as food coloring agent.