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Merck
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文件

N10845

Sigma-Aldrich

3-硝基苯甲醛

ReagentPlus®, 99%

同義詞:

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

線性公式:
O2NC6H4CHO
CAS號碼:
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

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


分析證明 (COA)

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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
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
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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