Perylene - sublimed grade, ≥99.5% , CAS No.198-55-0

CAS: 198-55-0 Cat. No.: P478488 Formula: C₂₀H₁₂ Molecular Weight: 252.31 Beilstein Registry Number: 1911335 EC Number: 205-900-9

GRADE & PURITY Sublimed grade, ≥99.5%

Synonyms

EINECS 205-900-9 | UNII-5QD5427UN7 | FT-0631865 | Perylene, analytical standard | alpha-Perylene | AMY13456 | MFCD00004142 | Perylene, sublimed grade, >=99.5% | .alpha.-Perylene | CCRIS 1231 | P1629 | 5QD5427UN7 | CHEBI:29861 | HY-W090294 | P-2100 | Peryl

Storage

Argon charged,Room temperature

Overview

Perylene molecules are fluorescent in nature. Ultraviolet photoemission spectroscopy and low energy electron diffraction of the structure of 4Å thick perylene dye layers adsorbed on the surface of Ru (0001) has been investigated.Perylene was used in the fabrication of gold nanoparticle (AuNP) : poly(ethylene oxide) (PEO) nanocomposite thin films. Perylene nanoparticles doped into poly(acrylonitrile) (PAN) were used to monitor the temperature change caused due to the nanoparticle plasmon-mediated heating within the polymer fibres and films. Ordered epitaxial perylene films may be used to fabricate a multilayered electroluminescent device.

Specifications

Synonyms

EINECS 205-900-9 | UNII-5QD5427UN7 | FT-0631865 | Perylene, analytical standard | alpha-Perylene | AMY13456 | MFCD00004142 | Perylene, sublimed grade, >=99.5% | .alpha.-Perylene | CCRIS 1231 | P1629 | 5QD5427UN7 | CHEBI:29861 | HY-W090294 | P-2100 | Peryl

Specifications & Purity

sublimed grade, ≥99.5%

Storage

Argon charged,Room temperature

Grade

Sublimed grade

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

488180936

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180936

Canonical Smiles

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

IUPAC Name

perylene

InChIKey

CSHWQDPOILHKBI-UHFFFAOYSA-N

INCHI

1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

WGK Germany

3

RTECS

SE3794000

UN Number

2811

Molecular Weight

252.31

Beilstein

1911335

Reaxy-Rn

1911335

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: ortho- and peri-fused polycyclic arene - perylenes

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 277-280°C
• Molecular Weight: 252.300 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 252.094 Da
• Monoisotopic Mass: 252.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 304.000
• 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