![7,12-dimethylbenzo[α]anthracene structural formula](http://www.pucats.com/wp-content/uploads/2024/06/ad0dbc4ed52648f1ad53feabef0900a9.gif)
Structural formula
| Business number | 0195 |
|---|---|
| Molecular formula | C20H16 |
| Molecular weight | 256.34 |
| label |
9,10-dimethyl-1.2benzanthracene, Dimethylbenzanthracene, 1,4-Dimethyl-2,3-benzophenanthrene, 9,10-Dimethyl-1,2-benzanthracene, Dimethylbenzanthrene, Aromatic hydrocarbons |
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.
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