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N12007

Sigma-Aldrich

4-Nitrobenzonitril

97%

Synonym(e):

1-Cyano-4-nitrobenzene, 4-Cyano-1-nitrobenzene, 4-Cyanonitrobenzene, p-Cyanonitrobenzene, p-Nitrobenzonitrile

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About This Item

Lineare Formel:
O2NC6H4CN
CAS-Nummer:
619-72-7
Molekulargewicht:
148.12
Beilstein:
972078
EG-Nummer:
210-610-0
MDL-Nummer:
MFCD00007279
UNSPSC-Code:
12352100
PubChem Substanz-ID:
24897468
NACRES:
NA.22

Assay

97%

Form

powder

mp (Schmelzpunkt)

144-147 °C (lit.)

SMILES String

[O-][N+](=O)c1ccc(cc1)C#N

InChI

1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H

InChIKey

NKJIFDNZPGLLSH-UHFFFAOYSA-N

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Piktogramme

Skull and crossbones
GHS06

Signalwort

Danger

Gefahreneinstufungen

Acute Tox. 2 Oral - Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation

Lagerklassenschlüssel

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Analysenzertifikate (COA)

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Sigma-Aldrich

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N Dorostkar-Ahmadi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1375-1380 (2011-06-07)
Reaction of 4-nitrobenzonitrile oxide (2) which was generated in situ with acrylo nitrile (3), methyl methacrylate (4) and allyl bromide (5) as dipolarphile afforded the new 7a, 8a and 9a compounds respectively. Reactivity and regiochemistry of these reactions were investigated
G Monechi et al.
La Medicina del lavoro, 82(2), 137-141 (1991-03-01)
The paper describes a singular case of acute intoxication by 4-nitrobenzonitrile, a rare intermediate compound produced by pharmaceutical synthesis. The patients subsequently showed an increase in triglycerides and fatty alterations of the liver.
Andrej Maroz et al.
Organic & biomolecular chemistry, 8(2), 413-418 (2010-01-13)
The one-electron reduction chemistry of the antituberculosis drug PA-824, together with a series of closely related compounds, has been investigated in irradiated anaerobic propan-2-ol solution. The protic solvent, of low dielectric constant, was chosen to mimic the environment of a
A P Kumar et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 53A(12), 2041-2048 (1998-01-23)
A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for 2-chloro, 6-fluorobenzonitrile, s-trichlorobenzonitrile, p- and m-methoxybenzonitriles and m-nitrobenzonitrile, transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average
B Markus et al.
Journal of pharmaceutical sciences, 83(12), 1729-1734 (1994-12-01)
Studies on the metabolic fate of aromatic nitriles, in contrast to their aliphatic counterparts, have been minimal and the subject of controversy. The in vitro metabolic fate of several aromatic nitriles with varying substituents was investigated by using rat liver

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