pentacene

• ChemBase ID: 128854
• Molecular Formular: C22H14
• Molecular Mass: 278.34656
• Monoisotopic Mass: 278.10955045
• SMILES: c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
• Canonical SMILES: c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
• InChIKey: SLIUAWYAILUBJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacene
• IUPAC Traditional name: pentacene
• Synonyms: Pentacene; Pentacene; 并五苯

Database IDs

• CAS Number: 135-48-8
• EC Number: 205-193-7
• MDL Number: MFCD00003710
• Beilstein Number: 1912418
• PubChem SID: 24869414; 24898247; 162223157; 24886995
• PubChem CID: 8671
• CHEBI ID: 33148
• Chemspider ID: 8347
• Wikipedia Title: Pentacene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.931153
• LogD (pH = 7.4): 5.931153
• Log P: 5.931153
• Molar Refractivity: 91.8588 cm^3
• Polarizability: 41.179665 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: organic solvents: slightly soluble ((lit))
• Apperance: Dark powder
• Melting Point: > 300 °C; sublimes at 372 °C; 372-374 °C (subl.)
• Density: 1.3 g/cm^3
• Orbital energy: HOMO 5 eV; LUMO 3 eV
• Semiconductor Properties: P-type (mobility=0.4-3 cm2/V·s); P-type (mobility=0.4-3 cm2/V·s) (on/off ratio=1E5-1E8)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.9% trace metals basis; ≥99.995% trace metals basis; 99%
• Grade: analytical standard, for environmental analysis; for fluorescence; purum; sublimed grade; triple-sublimed grade
• OPV Device Performance: ITO/pentacene/C60/BCP/Al1• Short-circuit current density (Jsc): 15 mA/cm2• Open-circuit voltage (Voc): 0.36 V• Fill Factor (FF): 0.5• Power Conversion Efficiency (PCE): 2.7 %
• Empirical Formula (Hill Notation): C22H14

DETAILS

Sigma Aldrich - 684848

General description
TGA/DSC Lot specific traces available upon request
Packaging
1 g in glass bottle
Protocols & Applications
Thin Film Transistor Device Preparation and Performance using Triple-Sublimed Pentacene

Sigma Aldrich - 698423

Application
p-Type organic conductor. Triple-sublimed grade for organic electronic device applications.
General description
TGA/DSC Lot specific traces available upon request
Packaging
500 mg in glass bottle
Protocols & Applications
Thin Film Transistor Device Preparation and Performance using Triple-Sublimed Pentacene

Sigma Aldrich - P1802

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1, 5 g in glass bottle
100 mg in glass bottle