7,12-Dimethylbenz[α]anthracene 7,12-Dimethylbenz[α]anthracene

Structural formula

• 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:57-97-6

MDL number:MFCD00003600

EINECS number:200-359-5

RTECS number:CW3850000

BRN number:1912135

PubChem number:24893738

Physical property data

1. Properties: Slightly yellow-green leaf-shaped crystals. It fluoresces blue-violet under ultraviolet light.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 122～123

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): 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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in benzene, soluble in acetone , slightly soluble in ethanol, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 89.43

2. Molar volume (cm³/mol): 224.3

3. Isotonic specific volume (90.2K): 594.0

4. Surface tension (dyne/cm): 49.1

5. Dielectric constant (F/m): 3.13

6. Polarizability (10^-24cm³): 35.45

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Hydrogen bond supplyNumber of ��: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Tautomers Number: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 346

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain Number of atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

1. Exist in smoke.

2. It is carcinogenic.

Storage method

This product should be kept sealed.

Synthesis method

1. From 9,10-dimethyl-9,10-dihydroxy-9,10-dihydro-1,2-benzanthracene or 9,10-dimethyl-9,10-dimethoxy- Preparation from 9,10-dihydro-1,2-benzanthracene or 9-methyl-1,2-benzanthracene-10-one.

Purpose

For cancer research. Dye manufacturing. ​​