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Merck
CN

N10845

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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关于此项目

线性分子式:
O2NC6H4CHO
化学文摘社编号:
99-61-6
分子量:
151.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24897458
EC Number:
202-772-6
Beilstein/REAXYS Number:
386795
MDL number:
MFCD00007249
Assay:
99%
Form:
crystals

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InChI

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

InChI key

ZETIVVHRRQLWFW-UHFFFAOYSA-N

SMILES string

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

product line

ReagentPlus®

assay

99%

form

crystals

Quality Level

200

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Legal Information

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

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

存储类别

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
WXBF5951V
WXBF0782V
WXBD7431V
WXBD4211V
WXBD1260V

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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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