3,4,9,10-Perylenetetracarboxylic dianhydride

Details:

1. Introduction of 3,4,9,10-Perylenetetracarboxylic dianhydride

 

The 3,4,9,10-Perylenetetracarboxylic dianhydride, with its CAS NO 128-69-8, is a kind of white powder. It has synonyms of Pigment Red 224;3,4,9,10-Perylenetetracarboxylic aciddianhydride;3,4:9,10-Perylenetetracarboxylic anhydride;Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone;C.I. Pigment Red 224;Irgazin Red BPT;Irgazin Red BPTN;NSC 79895;PTCDA;Perrindo Red R 6420;Perylenetetracarboxylic acid dianhydride and Perylenetetracarboxylic dianhydride.
 

 

2. Properties of 3,4,9,10-Perylenetetracarboxylic dianhydride

 

(1) ACD/LogP: 3.393  (2) ACD/LogD (pH 5.5): 3.39  (3) ACD/LogD (pH 7.4): 3.39
(4) ACD/BCF (pH 5.5): 223.19  (5) ACD/BCF (pH 7.4): 223.19
(6) ACD/KOC (pH 5.5): 1670.29  (7) ACD/KOC (pH 7.4): 1670.29
(8) #H bond acceptors: 6   (9) Polar Surface Area: 86.74 ?2
(10) Index of Refraction: 1.973  (11) Molar Refractivity: 109.165 cm3
(12) Molar Volume: 222.353 cm3  (13) Polarizability: 43.276 10-24cm3
(14) Surface Tension: 105.196998596191 dyne/cm  (15) Density: 1.764 g/cm3
(16) Flash Point: 329.942 °C   (17) Enthalpy of Vaporization: 110.112 kJ/mol
(18) Boiling Point: 755.751 °C at 760 mmHg
 

 

3. Structure descriptors of 3,4,9,10-Perylenetetracarboxylic dianhydride

 

SMILES:O=C4OC(=O)c3ccc2c1ccc7c6c1c(c5c2c3c4cc5)ccc6C(=O)OC7=O

Std. InChI:InChI=1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H

Std. InChIKey:CLYVDMAATCIVBF-UHFFFAOYSA-N