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BCR272

Coronene

BCR®, certified reference material

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About This Item

Empirical Formula (Hill Notation):
C24H12
CAS Number:
191-07-1
Molecular Weight:
300.35
Beilstein:
658468
EC Number:
205-881-7
MDL number:
MFCD00004134
UNSPSC Code:
41116107
PubChem Substance ID:
329773805
NACRES:
NA.24

grade

certified reference material

Agency

BCR®

manufacturer/tradename

JRC

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

525 °C (lit.)

mp

428 °C (lit.)

format

neat

storage temp.

2-8°C

SMILES string

c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67

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

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Analysis Note

For more information please see:
BCR272

Legal Information

BCR is a registered trademark of European Commission

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Hirofumi Sato et al.
Physical chemistry chemical physics : PCCP, 13(1), 309-313 (2010-11-26)
Coronene (C(24)H(12)) is a flat polyaromatic hydrocarbon consisting of seven peri-fused benzene rings and attracts lots of attention as a fragment of graphene. Using a hybrid method of quantum chemistry and statistical mechanics called RISM-SCF, which is an alternative to
Matthew R Kennedy et al.
The journal of physical chemistry. A, 116(48), 11920-11926 (2012-11-10)
π-π interactions are integral to many areas of chemistry, biochemistry, and materials science. Here we use electronic structure theory to analyze how π-π interactions change as the π-systems are curved in model complexes based on coronene and corannulene dimers. Curvature
Jing Zhang et al.
Journal of the American Society for Mass Spectrometry, 22(7), 1294-1298 (2011-09-29)
In this Application Note, we describe, for the first time, the rapid analysis of hydrophobic compounds present in environmental contaminants, which includes polycyclic aromatic hydrocarbons (PAHs) and estrogen, by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) with the use
A I S Holm et al.
The Journal of chemical physics, 134(4), 044301-044301 (2011-02-02)
We have performed density functional theory calculations for a range of neutral, singly, and multiply charged polycyclic aromatic hydrocarbons (PAHs), and their fragmentation products for H-, H(+)-, C(2)H(2)-, and C(2)H(2)(+)-emissions. The adiabatic and vertical ionization energies follow linear dependencies as
Di Wu et al.
The Journal of organic chemistry, 77(24), 11319-11324 (2012-11-29)
The construction of coronenes using simple building blocks is a challenging task. In this work, triphenylene was used as a building block to construct functionalized coronenes, and their solid structures and optoelectronic properties were investigated. The single crystal structures showed
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