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. ​​