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BCR308

9-Nitroanthracene

BCR®, certified reference material

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About This Item

Empirical Formula (Hill Notation):
C14H9NO2
CAS Number:
602-60-8
Molecular Weight:
223.23
Beilstein:
1877509
EC Number:
210-021-9
MDL number:
MFCD00001248
UNSPSC Code:
41116107
PubChem Substance ID:
329773817
NACRES:
NA.24

grade

certified reference material

Agency

BCR®

manufacturer/tradename

JRC

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

mp

141-144 °C (lit.)

format

neat

storage temp.

2-8°C

SMILES string

[O-][N+](=O)c1c2ccccc2cc3ccccc13

InChI

1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

InChI key

LSIKFJXEYJIZNB-UHFFFAOYSA-N

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General description

9-Nitroanthracene belongs to the class of nitrated-polycyclic aromatic hydrocarbons, found to be persistent in the environment. It is produced from direct sources such as diesel, gasoline exhaust and by the gas-phase reactions of PAHs with oxides of nitrogen.

Application

9-Nitroanthracene may be used as a certified reference material for the quantification of the analyte in the following:
  • Aerosol samples using direct infusion into an atmospheric pressure photoionization high-resolution mass spectrometer (APPI-HRMS).
  • Air and diesel particulate reference materials using pressurized-fluid extraction (PFE) with normal-phase liquid chromatography (LC) followed by gas chromatography coupled to mass spectrometry (GC-MS) in negative ion chemical ionization (NICI) mode.

Analysis Note

For more information please see:
BCR308

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

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Direct target and non-target analysis of urban aerosol sample extracts using atmospheric pressure photoionization high-resolution mass spectrometry
Giorio C, et al.
Chemosphere, 224, 786-795 (2019)
9-Nitroanthracene.
IARC monographs on the evaluation of the carcinogenic risk of chemicals to humans, 33, 179-185 (1984-04-01)
Mutagens in diesel exhaust particulate. Identification and direct activities of 6-nitrobenzo[a]pyrene, 9-nitroanthracene, 1-nitropyrene and 5h-phenanthro[4,5-bcd]pyran-5-one.
J N Pitts et al.
Mutation research, 103(3-6), 241-249 (1982-03-01)
Andrea Alparone et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 89, 129-136 (2012-01-20)
Structure, IR and Raman spectra of 1-, 2- and 9-nitroanthracene isomers (1-NA, 2-NA and 9-NA) were calculated and analyzed through density functional theory computations using the B3LYP functional with the 6-311+G** basis set. Steric and π-conjugative effects determine the characteristic
K K Colvert et al.
Biochemical and biophysical research communications, 141(1), 245-250 (1986-11-26)
Xanthine oxidase, a mammalian nitroreductase, catalyzed the covalent binding of a series of nitro-polycyclic aromatic hydrocarbons (nitro-PAHs) trans-dihydrodiols to DNA. Some of the trans-dihydrodiols bound to DNA to a greater extent than their parent nitro-PAHs; however, when the dihydrodiol moiety
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