Pentacene - sublimed grade, ≥99.995% metals basis , CAS No.135-48-8

CAS: 135-48-8 Cat. No.: P431982 Summenformel: C₂₂H₁₄ Molekulargewicht: 278.35 Beilstein Registry Number: 1912418 EG-Nummer: 205-193-7

GRADE & PURITY Sublimed grade, ≥99.995% metals basis

Synonyms

AC-16089 | Benzo(b)naphthacene | AMY18706 | Pentacene, triple-sublimed grade, >=99.995% trace metals basis | Pentacene, (purified by sublimation) | YSWG768 | AKOS015840937 | UNII-9FQU5HA0UY | DTXSID7059648 | NSC 90784 | SB66603 | SY002500 | Benzo[b]naphth

Storage

Room temperature

Übersicht

TGA/DSC Lot specific traces available upon request Pentacene is a conjugating material with relatively high field effect mobility and ordered film-forming ability. It forms organic thin films that can be coated on a variety of substrates for the development of semiconducting devices.

Application

p-Type organic conductor. Triple-sublimed grade for organic electronic device applications. Pentacene can be used as an active material for various optoelectronic and electronic applications such as organic light emitting diodes (OLEDs), organic thin film transistors (OTFTs) and organic photovoltaic cells (OPVs).

Specifications

Synonyme

AC-16089 | Benzo(b)naphthacene | AMY18706 | Pentacene, triple-sublimed grade, >=99.995% trace metals basis | Pentacene, (purified by sublimation) | YSWG768 | AKOS015840937 | UNII-9FQU5HA0UY | DTXSID7059648 | NSC 90784 | SB66603 | SY002500 | Benzo[b]naphth

Spezifikationen & Reinheit

sublimed grade, ≥99.995% metals basis

Storage

Room temperature

Note

Sublimationsqualität

Reinheit

≥99.995% metals basis

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1

IUPAC Name

pentacene

InChIKey

SLIUAWYAILUBJU-UHFFFAOYSA-N

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

Isomere SMILES

C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1

WGK Deutschland

3

Molekulargewicht

278.35

Beilstein

1912418

Reaxy-Rn

1912418

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912418&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Pentacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Pentacenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pentacene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pentacenes. These are compounds containing a pentacene moiety, which is consists of five linearly fused benzene rings.
• External Descriptors: acene - pentacenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: organic solvents: slightly soluble(lit.)
• Schmelzpunkt (°C): 372-374°C
• Molekulargewicht: 278.300 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.11 Da
• Monoisotopic Mass: 278.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1