Benzo[a]anthracene

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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.

Benzo[a]anthracene – Amine Catalysts