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Merck
CN

103543

4-Nitroanisole

97%

Synonym(s):

1-Methoxy-4-nitrobenzene

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About This Item

Linear Formula:
O2NC6H4OCH3
CAS Number:
100-17-4
Molecular Weight:
153.14
NACRES:
NA.22
PubChem Substance ID:
24846610
eCl@ss:
39032065
UNSPSC Code:
12352100
EC Number:
202-825-3
MDL number:
MFCD00007327
Beilstein/REAXYS Number:
1865361

Key Documents

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Product Name

4-Nitroanisole, 97%

InChI key

BNUHAJGCKIQFGE-UHFFFAOYSA-N

InChI

1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

SMILES string

COc1ccc(cc1)[N+]([O-])=O

assay

97%

form

solid

density

1.233 g/mL at 25 °C (lit.)

functional group

nitro

Quality Level

100

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Application

4-Nitroanisole was used as probe to determine Π* of Kamlet-Taft solvent parameters and high pressure and supercritical water in the temperature range of 16-420 °C. 4-Nitroanisole was used as carbon and energy supplement for the isolation of Rhodococcus strains.

Biochem/physiol Actions

4-Nitroanisole is O-demethylated to 4-nitrophenol by human liver microsomes.

General description

4-Nitroanisole undergoes photochemical nucleophilic aromatic substitution by hydroxide ion to form 4-methoxyphenol and 4-nitrophenol.

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H351,H412

Hazard Classifications

Aquatic Chronic 3 - Carc. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

266.0 °F - closed cup

flash_point_c

130 °C - closed cup

ppe

Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
STBF7314V
STBF4722V
STBD0772V
STBC8738V
STBC7426V

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Petr Klán et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 1(12), 1012-1016 (2003-03-29)
A temperature-sensitive photochemical nucleophilic aromatic substitution on 4-nitroanisole by a hydroxide ion in homogeneous solutions, in a two-phase system under phase-transfer catalysis conditions, and in the microwave field is reported. It was found that reaction regioselectivity dramatically changes with temperature
Andrea Ciani et al.
Environmental science & technology, 39(17), 6712-6720 (2005-09-30)
Photodegradation is a key process in governing the residence time and fate of many agrochemicals in top soils. However, the basic knowledge of the photolytic transformation reactions of organic chemicals on soil surfaces is still very poor, particularly regarding the
Andrea Ciani et al.
Chemosphere, 61(10), 1410-1418 (2005-07-12)
The kinetics of direct photochemical transformations of organic compounds in light absorbing and scattering media has been sparsely investigated. This is mostly due to the experimental difficulties to assess the major parameters: light intensity in porous media, the reaction quantum
D J Sequeira et al.
Biochimica et biophysica acta, 1207(2), 179-186 (1994-08-17)
The goal of this study was to examine the effect of duration of ethylbenzene exposure on cytochrome P-450-dependent activities. Male rats were treated with ethylbenzene by intraperitoneal injection for either 1 or 3 days, and microsomal preparations were examined for
Kimitaka Minami et al.
Physical chemistry chemical physics : PCCP, 8(19), 2257-2264 (2006-05-12)
Kamlet-Taft solvent parameters, pi*, of high pressure and supercritical water were determined from 16-420 degrees C based on solvatochromic measurements of 4-nitroanisole. For the measurements, an optical cell that could be used at high temperatures and pressures was developed with
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