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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.