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About This Item
Linear Formula:
O2NC6H4CN
CAS Number:
Molecular Weight:
148.12
Beilstein/REAXYS Number:
637674
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
assay
98%
form
solid
mp
114-117 °C (lit.)
functional group
nitrile
nitro
SMILES string
[O-][N+](=O)c1cccc(c1)C#N
InChI
1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
InChI key
RUSAWEHOGCWOPG-UHFFFAOYSA-N
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Application
3-Nitrobenzonitrile was employed as matrix for matrix assisted ionization vacuum method for mass spectrometery.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Sarah Trimpin et al.
Analytical chemistry, 85(4), 2005-2009 (2013-02-05)
Matrix assisted ionization vacuum (MAIV) is a new ionization method that does not require high voltages, a laser beam, or applied heat and depends only the proper matrix, 3-nitrobenzonitrile (3-NBN), and the vacuum of the mass spectrometer to initiate ionization.
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Matrix-assisted ionization in vacuum (MAIV) was used to analyze the polyphenol content of ten different tea infusions. Nine different Camellia sinensis infusions were analyzed including three green teas, two black teas, two oolong teas, jasmine tea, and white tea. An
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We have developed a new ionization approach for matrix-assisted ionization with high temporal resolution using an electrically actuated pulsed valve. Matrix and analyte samples are deposited on a thin metal foil and placed at the inlet of an ambient ionization
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The introduction of electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI) for the mass spectrometric analysis of peptides and proteins had a dramatic impact on biological science. We now report that a wide variety of compounds, including peptides, proteins, and
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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 107, 248-255 (2013-02-26)
In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and
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