ChemicalBook--->CAS DataBase List--->3029-32-1

3029-32-1

3029-32-1 Structure

3029-32-1 Structure
IdentificationBack Directory
[Name]

6,13-Pentacenequinone
[CAS]

3029-32-1
[Synonyms]

6,13-PENTACENEDIONE
6,13-Pntacenequinone
pentacene-6,13-dione
6,13-PENTACENEQUINONE
6,13-PENTACENEQUINONE 99%
6,13-Pentacenequinone,99%
6,13-Pentacenequinone, 99% 1GR
6,13-Dihydropentacene-6,13-dione
6,13-Pentacenequinone6,13-Pentacenedione
[Molecular Formula]

C22H12O2
[MDL Number]

MFCD00003709
[MOL File]

3029-32-1.mol
[Molecular Weight]

308.33
Chemical PropertiesBack Directory
[Appearance]

yellow powder
[Melting point ]

394 °C
[Boiling point ]

388.73°C (rough estimate)
[density ]

1.2343 (rough estimate)
[refractive index ]

1.5344 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[color ]

Yellow
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

insoluble
[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
[SMILES]

C1=CC2=CC3C(=O)C4=CC5=CC=CC=C5C=C4C(=O)C=3C=C2C=C1
[NIST Chemistry Reference]

6,13-Pentacenedione(3029-32-1)
Hazard InformationBack Directory
[Chemical Properties]

yellow powder
[Uses]

6,13-Pentacenequinone has been used in:
  • deposition of 6,13-pentacenequinone thin films on n-Si substrates by thermal evaporation
  • as precursor to diarylpentacenes, potential organic field-effect transitors
[General Description]

Electronic structure of the lowest excited triplet state of 6,13-pentacenequinone has been studied by continuous-wave time-resolved electron paramagnetic resonance and pulsed electron nuclear double resonance.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

29146990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

6,13-Pentacenequinone(3029-32-1)MS
6,13-Pentacenequinone(3029-32-1)1HNMR
6,13-Pentacenequinone(3029-32-1)IR1
6,13-Pentacenequinone(3029-32-1)Raman
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