6,13-Pentacenedione

Basic Information

View in Editor

CAS Number

3029-32-1

Molecular Formula

C22H12O2

Molecular Weight

308.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

394°C

Boiling Point

557.5℃ at 760 mmHg

Flash Point

204.1℃

Refractive Index

1.5344 (estimate)

SMILES

View in Editor

C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O

InChI

InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H

InChIKey

UFCVADNIXDUEFZ-UHFFFAOYSA-N

LogP

4.768400000000002

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

446

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

6,13-Pentacenequinone
C22H12O2
FT-0620834
AS-30041
6,13-Pentacenequinone, 99%
3029-32-1
J-017888
Pentacene-6,13-dione;613-pentacenediquinone pentacenedione
6,13-pentacenediquinone pentacenedione
CS-W014529
AKOS003615541
SY004565
pentacene-6,13-dione
DTXSID60184375
MFCD00003709
UFCVADNIXDUEFZ-UHFFFAOYSA-
InChI=1/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H
4-Pentylphenyltrans,trans-4-propyl-1,1-bicyclohexyl-4-carboxylate
SCHEMBL354514
6,13-Pentacenedione
P1685
Pentacene-6,13-dione
pentacen-6,13-dione
pentacene-6,13-quinone
pentacenequinone

MDL Number

MFCD00003709

Customs Code

29310095

FAQ

What is 6,13-Pentacenedione (CAS: 3029-32-1)?

6,13-Pentacenedione, also known as pentacene-6,13-dione, is a chemical compound with the CAS number 3029-32-1. It is a yellow crystalline solid with a molecular formula of C22H12O2. This compound is used primarily in research for its photophysical and electronic properties.

What are the main uses of 6,13-Pentacenedione (CAS: 3029-32-1)?

6,13-Pentacenedione is mainly used in research and development, particularly in the fields of materials science and photophysics. It can be utilized in the synthesis of other compounds and in studies related to organic electronics and optoelectronics.

Is 6,13-Pentacenedione (CAS: 3029-32-1) safe?

6,13-Pentacenedione is generally safe when handled properly. Users should avoid skin and eye contact, and inhalation of dust. It is recommended to wear appropriate personal protective equipment such as gloves and safety goggles during handling.

How should 6,13-Pentacenedione (CAS: 3029-32-1) be stored?

6,13-Pentacenedione should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. The temperature should be maintained between 15-25°C, with relative humidity below 50% to ensure the stability of the compound.