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Coronene

Catalog Number
ACM191071-3
CAS Number
191-07-1
Product Name
Coronene
Structure
Category
Carbon Nanomaterials; Electroluminescence Materials; Molecular Conductors; Organic Field Effect Transistor (OFET) Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
Hexabenzobenzene
IUPAC Name
Coronene
Molecular Weight
300.4
Molecular Formula
C24H12
Canonical SMILES
C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
InChI
InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
InChI Key
VPUGDVKSAQVFFS-UHFFFAOYSA-N
Boiling Point
428 °C
Melting Point
525 °C
Purity
95%+
Density
1.39 g/ml
Solubility
4.66e-10 M
Appearance
Yellow to greenish crystalline powder
Application
An n-channel organic semiconductor.
Storage
Store under inert gas
Assay
0.99
Complexity
376
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
205-881-7
Exact Mass
300.0939
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
7.64 (LogP)
MDL Number
MFCD00004134
MeSH Entry Terms
coronene
Monoisotopic Mass
300.0939
NSC Number
90725
Packaging
100, 500 mg in glass insert
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
0
Signal Word
Warning
Topological Polar Surface Area
0 Ų
UNII
7YY0X5XT1W
Vapor Pressure
2.17e-12 mmHg
XLogP3
7.2
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