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

CAS: 135-48-8 Cat. No.: P431982 Molecular Weight: 278.35 Beilstein Registry Number: 1912418 EC Number: 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

Overview

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

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

Specifications & Purity

sublimed grade, ≥99.995% metals basis

Storage

Room temperature

Grade

Sublimed grade

Purity

≥99.995% metals basis

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
• WGK Germany: 3
• Molecular Weight: 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
    • Class Pentacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: organic solvents: slightly soluble(lit.)
• Melt Point(°C): 372-374°C
• Molecular Weight: 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

References

1. Wei Huang, Samuel Kin-Man Lai, Kaiqing Liang, Keyuan Pu, Xin Wang, Yuping Chen, Kwan-Ming Ng.  (2023)  Near-Field-Induced Ionization on Photo-Excited Gold Nanoparticles.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c01164]

2. Hongliang Zhao, Tengteng Li, Qingyan Li, Chengqi Ma, Jie Li, Chenglong Zheng, Yating Zhang, Yating Zhang, Jianquan Yao, Jianquan Yao.  (2021)  Low operating voltage monolithic stacked perovskite photodetectors for imaging applications.  Optical Materials Express,  11  (4): (1004-1013).  [PMID:] [10.1364/OME.420656]

3. Chenglong Zhou, Yongsheng Tan, Anbiao Gui, Shunwei Zhu, Shunhang Wei, Zebo Fang, Qiufeng Ye.  (2026)  A flexible self-powered pentacene/Ga2O3 heterojunction solar-blind ultraviolet photodetector.  SENSORS AND ACTUATORS A-PHYSICAL,      [PMID:] [10.1016/j.sna.2026.117488]

4. Wang Yue, Shan Xuanyu, Wang Qiang, Wang Zewei, Liu Siyu, Liu Wei, Zheng Jiahui, Zhao Xiaoning, Wang Zhongqiang, Lin Ya, Tao Ye, Xu Haiyang, Liu Yichun.  (2026)  Multimode-fused reservoir computing based on CH3NH3PbI3 nanowire optoelectronic memristor for spatiotemporal information processing.  Science China-Information Sciences,  69  (4): (142403).  [PMID:] [10.1007/s11432-025-4643-6]