2-tert-Butylanthraquinone 2-tert-Butylanthraquinone
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.
