Structural formula
| Business number | 01T8 |
|---|---|
| Molecular formula | C26H33Cl2N3 |
| Molecular weight | 458.47 |
| label |
Heptamethyl-p-rosaniline chloride, Methyl Green Dichloride, Heptamethyl-p-rosaniline Chloride |
Numbering system
CAS number:82-94-0
MDL number:None
EINECS number:201-447-6
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character:Green microcrystalline or bright green powder with metallic luster
2. Density (g/mL,25/4℃)：1.72
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): 233
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
13. Heat of combustion (KJ/mol): Unsure
14. Critical temperature (ºC): Unsure
15. Critical pressure (KPa): Unsure
16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:Soluble in water, appears blue-green. Slightly soluble in ethanol, insoluble in amyl alcohol
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 6.2
7. Number of heavy atoms: 31
8. Surface charge: 0
9. Complexity: 625
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: 3
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
1; tab-stops: list 27.0pt; mso-pagination: widow-orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:Soluble in water, appears blue-green. Slightly soluble in ethanol, insoluble in amyl alcohol
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 6.2
7. Number of heavy atoms: 31
8. Surface charge: 0
9. Complexity: 625
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: 3
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
