Benzo[a]anthracene
![Benzo[a]anthracene structural formula](http://staticv5.basechem.org/img/tupu/old/49f39a7c8ce34a94bcdec6d50ee013d4.gif)
Structural formula
| Business number | 017R |
|---|---|
| Molecular formula | C18C12 |
| Molecular weight | 228.29 |
| label |
1,2-Benzanthracene, Tetraphene, Benz[a]anthracene, Naphthanthracene, Aromatic hydrocarbons |
Numbering system
CAS number:56-55-3
MDL number:MFCD00003599
EINECS number:200-280-6
RTECS number:CV9275000
BRN number:1909298
PubChem number:24847436
Physical property data
1.Characteristics: White or light yellow flaky crystals. There is yellow-green fluorescence. Can be sublimated.
2. Melting point (ºC): 160.5
3. Refractive index: Undetermined
4. Flash point (ºC): Undetermined
5. Specific rotation (º): Undetermined
6. Autoignition point or ignition temperature (ºC): Undetermined
7. Vapor pressure (kPa , 25ºC): Not determined
8. Saturated vapor pressure (kPa, 60ºC): Not determined
9. Heat of combustion (KJ/mol): Undetermined
10. Critical temperature (ºC): Undetermined
11. Critical pressure (KPa): Undetermined
12. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
13. Explosion upper limit (%, V/V): Undetermined
14. Lower explosion limit (%, V/V): Undetermined
15. Solubility: soluble in most organic solvents, difficult to Soluble in acetic acid and hot ethanol, insoluble in water.
16. Standard heat of combustion (enthalpy) of crystalline phase (kJ·mol-1): -8969.0
17. Crystal phase standard claims heat (enthalpy) (kJ·mol-1): 170.8
18. Gas-phase standard combustion heat (enthalpy) (kJ·mol-1): -9091.2
19. Gas phase standard claims heat (enthalpy) (kJ·mol-1): 293.0
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 79.78
2. Molar volume (cm3/mol): 191.7
3. Isotonic specific volume (90.2K ): 518.7
4. Surface tension (dyne/cm): 53.5
5. Dielectric constant (F/m): 3.24
6. Extreme Chemical rate (10-24cm3): 31.62
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: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 294
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
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
1. This product exists in coal tar, coal tar pitch, creosote, and is pyrolyzed at 700°C by coking, various coal-burning flue gases, automobile engine exhaust, and carbohydrates, amino acids, and fatty acids. Benzo(a)anthracene is present.
2. Obtain flakes from glacial acetic acid or ethanol.
Purpose
Used in organic synthesis.
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