2-amino-6-ethoxybenzothiazole
structural formula
| business number | 027p |
|---|---|
| molecular formula | c9h10n2os |
| molecular weight | 194.25 |
| label |
2-amino-6-ethoxybenzothiazole, 6-ethoxy-2-benzothiazolamine, 2-amino-6-ethoxybenzothiazole |
numbering system
cas number:94-45-1
mdl number:mfcd00005788
einecs number:202-333-9
rtecs number:none
brn number:none
pubchem number:24890970
physical property data
1. properties: powder
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air=1) : undetermined
4. melting point (ºc): 160-163
5. boiling point (ºc, normal pressure): undetermined
6. boiling point ( ºc, 8mmhg): not determined
7. refractive index: not determined
8. flash point (ºc): not determined
9. specific rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (mmhg, 25ºc): not determined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
none
ecological data
slightly harmful to water.
molecular structure data
1. molar refractive index: 56.11
2. molar volume (cm3/mol): 149.0
3. isotonic specific volume (90.2k ): 410.7
4. surface tension (dyne/cm): 57.6
5. polarizability (10-24cm3): 22.24
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 2
5. number of tautomers: 2
6. topological molecule polar surface area 76.4
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 179
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
avoid contact with oxides.
storage method
store sealed in a cool, dry place. make sure the workspace has good ventilation. keep away from sources of fire and store away from oxidizing agents.
synthesis method
none
purpose
none
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