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: wi-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
