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Merck
CN

932760

PTCDA

别名:

3,4,9,10-苝四甲酸二酐, Pigment Red 224

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关于此项目

经验公式(希尔记法):
C24H8O6
化学文摘社编号:
分子量:
392.32
NACRES:
NA.21
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
57831
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assay

99% (sublimed)

Quality Segment

mp

>300 °C

solubility

DMSO: slightly soluble

orbital energy

HOMO 5.85 eV , LUMO 3.9 eV 

SMILES string

O1C(=O)c2c3c4c(c5c6c(c4cc2)ccc7c6c(cc5)C(=O)OC7=O)ccc3C1=O

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

InChI key

CLYVDMAATCIVBF-UHFFFAOYSA-N

Application

3,4,9,10-Perylenetetracarboxylic dianhydride, also known as Perylenetetracarboxylic acid dianhydride, is a large π-conjugated semiconductor aromatic organic molecule. It is an organic dye molecule and an organic semiconductor. It is used as a precursor to a class of molecules known as Rylene dyes, which are useful as pigments and dyes. It is a dark red solid with low solubility in aromatic solvents.
The compound has attracted much interest as an organic semiconductor. It has potential applications in organic and molecular electronics, and typically used as an archetype molecular compound. PTCDA shares many properties with conventional semiconductors (with their delocalized electronic states), and insulator-like organic molecular crystals (OMCs) (with their large absorption oscillator strengths, excitonic self-trapping, polaron-assisted conduction, etc.). That is due to extremely close π-π stacking, an unusually small intermolecular distance of only 3.21 A. Among its applications, it is important to highlight the latest focus on environment monitoring, self-assembly and photocatalysis.


存储类别

11 - Combustible Solids

wgk

WGK 1



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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