Pentacene - sublimed grade, ≥99.9% metals basis , CAS No.135-48-8

CAS: 135-48-8 Cat. No.: P431983 Fórmula: C₂₂H₁₄ Peso molecular: 278.35 Beilstein Registry Number: 1912418 Número CE: 205-193-7

GRADE & PURITY Sublimed grade, ≥99.9% 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

Visão geral

TGA/DSC Lot specific traces available upon request

Specifications

Sinónimos

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

Especificações e pureza

sublimed grade, ≥99.9% metals basis

Condições de armazenamento de armazenamento

Room temperature

Grau

Sublimed grade

Pureza

≥99.9% metals basis

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe Pentacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: organic solvents: slightly soluble(lit.)
• Ponto de fusão (°C): 372-374°C
• Peso molecular: 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

Referências

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]