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About This Item
Linear Formula:
O2NC6H4CN
CAS Number:
Molecular Weight:
148.12
Beilstein:
637674
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
98%
form
solid
mp
114-117 °C (lit.)
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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Related Categories
Application
3-Nitrobenzonitrile was employed as matrix for matrix assisted ionization vacuum method for mass spectrometery.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Find documentation for the products that you have recently purchased in the Document Library.
Bijay Banstola et al.
The Analyst, 142(10), 1672-1675 (2017-04-27)
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
Ellen D Inutan et al.
Molecular & cellular proteomics : MCP, 12(3), 792-796 (2012-12-18)
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
Robert B Cody
Journal of the American Society for Mass Spectrometry, 29(8), 1594-1600 (2018-05-31)
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
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.
Yusuf Sert et al.
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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