Perylene CAS NO.198-55-0

1. Introduction ofPerylene The Perylene, with its CAS NO198-55-0, is a kind of red powder. It has synonyms ofDibenz[de,kl]anthr…

1. Introduction of Perylene

 

The Perylene, with its CAS NO 198-55-0, is a kind of red powder. It has synonyms of Dibenz[de,kl]anthracene;NSC 6512;peri-Dinaphthalene and a-Perylene. Perylene should be stored in shady and cool warehouse.

 

2. Properties of Perylene

 

(1) ACD/LogP: 6.188  (2) # of Rule of 5 Violations: 1 
(3) ACD/LogD (pH 5.5): 6.19  (4) ACD/LogD (pH 7.4): 6.19 
(5) ACD/BCF (pH 5.5): 29700.13  (6) ACD/BCF (pH 7.4): 29700.13 
(7) ACD/KOC (pH 5.5): 55358.59  (8) ACD/KOC (pH 7.4): 55358.59 
(9) Polar Surface Area: 0 ?2 (10) Boiling Point: 467.523 °C at 760 mmHg
(11) Index of Refraction: 1.887  (12) Molar Refractivity: 90.307 cm3 
(13) Molar Volume: 196.094 cm3  (14) Polarizability: 35.8 10-24cm3 
(14) Surface Tension: 63.4850006103516 dyne/cm  (16) Density: 1.287 g/cm3 
(17) Flash Point: 228.566 °C  (18) Enthalpy of Vaporization: 70.161 kJ/mol
 

 

3. Structure descriptors of Perylene

 

IUPAC Name: perylene

InChI: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-
1)19(13)17/h1-12H

InChIKey: CSHWQDPOILHKBI-UHFFFAOYSA-N

Canonical SMILES : C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

 

4. Emission

 

Perylene displays blue fluorescence. It is used as a blue-emitting dopant material in OLEDs, either pure or substituted. Perylene can be also used as an organic photoconductor. It has an absorption maximum at 434 nm, and as with all polycyclic aromatic compounds, low water solubility (1.2 x 10−5 mmol/L). Perylene has a molar absorptivity of 38,500 M−1cm−1 at 435.7 nm (about 6.5 μg is sufficient for absorbence of 1).