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Merck

167746

Sigma-Aldrich

3-硝基苯甲腈

98%

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About This Item

线性分子式:
O2NC6H4CN
CAS号:
分子量:
148.12
Beilstein:
637674
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

98%

形狀

solid

mp

114-117 °C (lit.)

SMILES 字串

[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 密鑰

RUSAWEHOGCWOPG-UHFFFAOYSA-N

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應用

3-硝基苯甲腈作为基质,用于基质辅助电离真空质谱法

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Oral

儲存類別代碼

11 - Combustible Solids

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

dust mask type N95 (US), Eyeshields, Gloves


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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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