Structural formula
Business number | 0406 |
---|---|
Molecular formula | C24H12 |
Molecular weight | 300.35 |
label |
khao, Hexabenzobenzene, Dibenzo[ghi,pqr]perylene, Aromatic hydrocarbons |
Numbering system
CAS number:191-07-1
MDL number:MFCD00004134
EINECS number:205-881-7
RTECS number:GM5400000
BRN number:658468
PubChem number:24860308
Physical property data
1. Properties: Yellow needle-like crystals
2. Relative density: 1.377
3. Melting point (℃): 438~440
4. Boiling point (ºC): 525
5. Solubility: Insoluble in water, slightly soluble in benzene.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 111.35
2. Molar volume (cm3/mol): 204.7
3. Isotonic specific volume (90.2K ): 623.0
4. Surface tension (dyne/cm): 85.7
5. Dielectric constant: not available
6. Dipole moment (10 -24cm3): Not available
7. Polarizability: 44.14
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: 24
8. Surface charge: 0
9. Complexity: 376
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
1. Exist in smoke.
2. IARC carcinogenicity assessment: Insufficient evidence, triggering activity.
Storage method
None
Synthesis method
1. Crystallize from benzene to obtain yellow needle crystals.
Purpose
None