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Key Documents

N12007

Sigma-Aldrich

4-硝基苯甲腈

97%

同義詞:

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

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About This Item

線性公式:
O2NC6H4CN
CAS號碼:
分子量::
148.12
Beilstein:
972078
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

97%

形狀

powder

mp

144-147 °C (lit.)

SMILES 字串

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

InChI

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

InChI 密鑰

NKJIFDNZPGLLSH-UHFFFAOYSA-N

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象形圖

Skull and crossbones

訊號詞

Danger

危險聲明

危險分類

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

儲存類別代碼

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

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

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


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分析證明 (COA)

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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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