structural formula
| business number | 01ul |
|---|---|
| molecular formula | c18h16o2 |
| molecular weight | 264.32 |
| label |
2-tert-butylanthraquinone, 2-tert-butylanthraquinone, terbutyl anthraquinone, β-tert-butylanthraquinone, 2-(1,1-dimethylethyl)-10-anthracenedione, 2-tert-butyl-9,10-anthraquinone, 2-tert-butylanthra-9,10-quinone |
numbering system
cas number:84-47-9
mdl number:mfcd00001232
einecs number:201-531-2
rtecs number:cb0487500
brn number:none
pubchem number:24846658
physical property data
1. character:light yellow crystalline powder. photosensitive.
2. density (g/ml,25/4℃): undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc): 102～104
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index: undetermined
8. flashpoint (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 77.05
2. molar volume (m3/mol）：225.7
3. isotonic specific volume (90.2k):589.5
4. surface tension (dyne/cm):46.5
5. polarizability（10-24cm3):30.54
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: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 34.1
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 418
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
none yet
storage method
this product should be sealed to avoid light preservation.
synthesis method
none yet
purpose
mainly used as a working carrier for anthraquinone to produce hydrogen peroxide, and also used to make dyes.
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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: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 34.1
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 418
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
none yet
storage method
this product should be sealed to avoid light preservation.
synthesis method
none yet
purpose
mainly used as a working carrier for anthraquinone to produce hydrogen peroxide, and also used to make dyes.
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