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198-55-0

198-55-0 structural image
Product Name: Perylene
Formula: C20H12
Synonyms: Dibenz[de,kl]anthracene;Perylene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow to colorless solid; [Merck Index] Yellow or orange powder; [MSDSonline]
Color/Form Yellow to colorless crystals from toluene
Boiling Point 350-400 (sublimes)
Melting Point 273-274 °C
Solubility In water, 0.0004 mg/L at 25 °C
Density 1.35
Vapor Pressure 0.00000001 [mmHg]
LogP log Kow = 6.30
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of Vaporization 89.9 kJ/mol (323-473 K)
Collision Cross Section 151.5 Ų [M+H]+ 149.6 Ų [M*]+
Kovats Retention Index 2781 2783 2783 2797 2829 2832 2849 2850 2846 2852 2814 2827.6 2846.6 456.2 456.3 457.5 459.6 454.6 454.9 456.8 457.5 457.7 455.5 456.3
Other Experimental Properties Photo-oxidizable in presence of acids; forms deep-brown molecular compounds with halogens; can be hydrogenated to tetradecahydroperylene; reacts with nitrogen dioxide to form nitro derivatives
Chemical Classes Other Classes -> Polycyclic Aromatic Hydrocarbons

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H351:Carcinogenicity
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P281:Use personal protective equipment as required.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 252.3 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 252.093900383 g/mol
Monoisotopic Mass 252.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 304
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Perylene is an ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. It is an ortho- and peri-fused polycyclic arene and a member of perylenes.

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