Structural formula
| Business number | 068W |
|---|---|
| Molecular formula | C25H25IN2 |
| Molecular weight | 480.38 |
| label |
pinacyanol iodide, Quinaldine blue, Pinacyanol Iodide, Quinaldine blue |
Numbering system
CAS number:605-91-4
MDL number:MFCD00011975
EINECS number:210-099-4
RTECS number:VC3676870
BRN number:4117070
PubChem number:24850168
Physical property data
Physical property data:
1. Character:Dark green powder
2. Melting point (℃):295(decomposition)
3. Toxicity: Toxic
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
None
Compute chemical data
4. Computational Chemistry Data:
2. Number of hydrogen bond donors:0
3. Number of hydrogen bond acceptors:2
4. Number of rotatable chemical bonds:4
5. Topological molecule polar surface area (TPSA ): 7.1
6. Number of heavy atoms:28
7. Surface charge: 0
8. Complexity:527
9. Isotope atoms Quantity: 0
10. Determine atoms Number of stereocenters:0
11. Not sure Number of atomic stereocenters:0
12. Determine the number of chemical bond stereocenters:2
13. Not sure Number of stereocenters of chemical bonds: 0
14. Covalent Number of key units: 2
Properties and stability
1. Basic properties
Dark green powder. Melting point 295℃ (decomposition). Maximum absorption wavelength 614nm. poisonous. Irritating.
Storage method
2. Storage
Seal and dry at 4℃.
Synthesis method
None
Purpose
3. Purpose
Biological staining .
