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N10845

Sigma-Aldrich

3-Nitrobenzaldehyde

ReagentPlus®, 99%

Synonym(s):

3-Nitrobenzaldehyde, 3-Nitrobenzenecarboxaldehyde, 3-Nitrophenylcarboxaldehyde, 5-Nitrobenzaldehyde, m-Nitrobenzaldehyde

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About This Item

Linear Formula:
O2NC6H4CHO
CAS Number:
99-61-6
Molecular Weight:
151.12
Beilstein/REAXYS Number:
386795
EC Number:
202-772-6
MDL number:
MFCD00007249
UNSPSC Code:
12352100
PubChem Substance ID:
24897458
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

200

product line

ReagentPlus®

assay

99%

form

crystals

mp

55-58 °C (lit.)

SMILES string

[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 key

ZETIVVHRRQLWFW-UHFFFAOYSA-N

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1 of 4

This Item
418749418730236241
Pentaerythritol tetraacrylate contains 350 ppm monomethyl ether hydroquinone as inhibitor

408263

Pentaerythritol tetraacrylate

Pentaerythritol propoxylate (5/4 PO/OH) average Mn ~426

418749

Pentaerythritol propoxylate (5/4 PO/OH)

Pentaerythritol ethoxylate (15/4 EO/OH) average Mn ~797

418730

Pentaerythritol ethoxylate (15/4 EO/OH)

Pentaerythritol 99%

236241

Pentaerythritol

contains

350 ppm monomethyl ether hydroquinone as inhibitor

contains

-

contains

-

contains

-

refractive index

n20/D 1.487 (lit.)

refractive index

n20/D 1.464

refractive index

n20/D 1.475

refractive index

-

impurities

10-40% triester

impurities

-

impurities

-

impurities

-

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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    Certificates of Analysis (COA)

    Lot/Batch Number
    WXBD4211V
    WXBD1260V
    WXBC8883V
    WXBC5391V
    WXBC2848V

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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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