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Merck

N10845

Sigma-Aldrich

3-硝基苯甲醛

ReagentPlus®, 99%

别名:

3-硝基苯甲醛, 5-硝基苯甲醛, 间硝基苯甲醛

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About This Item

线性分子式:
O2NC6H4CHO
CAS号:
分子量:
151.12
Beilstein:
386795
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

產品線

ReagentPlus®

化驗

99%

形狀

crystals

mp

55-58 °C (lit.)

SMILES 字串

[O-][N+](=O)c1cccc(C=O)c1

InChI

1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H

InChI 密鑰

ZETIVVHRRQLWFW-UHFFFAOYSA-N

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法律資訊

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

象形圖

Exclamation markEnvironment

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Oral - Aquatic Chronic 2

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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V Karunakaran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 98, 229-239 (2012-09-11)
FT-IR (4000-400 cm(-1)) and FT-Raman (3500-100 cm(-1)) spectral measurements of 4-chloro-3-nitrobenzaldehyde have been done. Ab initio (HF/6-311+G(d,p)) and DFT (B3LYP/6-311+G(d,p)) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, infrared intensities and Raman activities. A detailed interpretation of
E V Sargent et al.
Mutation research, 175(3), 133-137 (1986-11-01)
m-Nitrobenzaldehyde (MNB) was evaluated for mutagenic activity using the Ames microbial mutagenicity test and for its ability to induce DNA single-strand breaks in rat hepatocytes as measured by alkaline elution. MNB was tested in S. typhimurium strains TA1535, TA1537, TA1538
Halil Gökce et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1783-1793 (2011-06-21)
The molecular geometry, vibrational frequencies, 1H and 13C NMR chemical shifts, UV-vis spectra, HOMO-LUMO analyses, molecular electrostatic potentials (MEPs), , thermodynamic properties and atomic charges of 3- and 4-Nitrobenzaldehyde oxime (C7H6N2O3) molecules have been investigated by using Hartree-Fock (HF) and

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