benzo[a]anthracene

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
• 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: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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