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Merck
CN

47170

1-Fluoro-4-nitrobenzene

purum, ≥98.0% (GC)

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About This Item

Linear Formula:
FC6H4NO2
CAS Number:
350-46-9
Molecular Weight:
141.10
EC Number:
206-502-8
UNSPSC Code:
12352100
PubChem Substance ID:
329757300
Beilstein/REAXYS Number:
606923
MDL number:
MFCD00007282

Key Documents

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vapor density

>1 (vs air)

vapor pressure

5.5 mmHg ( 70 °C)

grade

purum

assay

≥98.0% (GC)

color

deep green-yellow

refractive index

n20/D 1.531 (lit.)

bp

205 °C (lit.)

mp

21 °C (lit.)

density

1.33 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(F)cc1

InChI

1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

InChI key

WFQDTOYDVUWQMS-UHFFFAOYSA-N

General description

1-Fluoro-4-nitrobenzene is a fluorinated building block. On reaction with H218O, it affords 4-nitro-1-[18O]phenol.

Application

1-Fluoro-4-nitrobenzene may be used in the preparation of the following:
  • 1-(2-[18F]fluoroethoxy)-4-nitrobenzene
  • 4-[4-[1,1-di[4-(4-aminophenoxy)phenyl]-ethyl]phenoxy]aniline and swelling-agent-modified montmorillonite/PAA (poly(amic acid)
  • 1-(4-nitrophenyl)- and 1-(2,4-dinitrophenyl)uracil derivatives
  • sulfonaphthoaminophenyl fluorescein (SNAPF), an imaging probe

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - STOT RE 2

Storage Class

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

wgk

WGK 1

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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A convenient method for N-1 arylation of uracil derivatives.
Gondela A and Walczak K.
Tetrahedron Letters, 47(27), 4653-4657 (2006)
Jinhe Pan et al.
Nuclear medicine and biology, 40(6), 850-857 (2013-06-19)
2-[(18)F]Fluoroethoxy and 3-[(18)F]fluoropropoxy groups are common moieties in the structures of radiotracers used with positron emission tomography. The objectives of this study were (1) to develop an efficient one-step method for the preparation of 2-[(18)F]fluoroethanol (2-[(18)F]FEtOH) and 3-[(18)F]fluoropropanol (3-[(18)F]FPrOH); (2)
Joanna Shepherd et al.
Chemistry & biology, 14(11), 1221-1231 (2007-11-21)
The myeloperoxidase (MPO)-derived oxidant hypochlorous acid (HOCl/OCl(-)) is implicated in the pathogenesis of atherosclerosis and other inflammatory states. We have synthesized an imaging probe, sulfonaphthoaminophenyl fluorescein (SNAPF), that selectively reacts with HOCl. SNAPF detects HOCl produced by stimulated MPO-expressing cells
Effect of reactivity of organics-modified montmorillonite on the thermal and mechanical properties of montmorillonite/polyimide nanocomposites.
Tyan H-L, et al.
Chemistry of Materials, 13(1), 222-226 (2001)
X Guo et al.
The Biochemical journal, 294 ( Pt 3), 653-656 (1993-09-15)
Michaelis-Menten parameters for hydrolysis of seven aryl N-acetyl alpha-D-neuraminides by Vibrio cholerae neuraminidase at pH 5.0 correlate well with the leaving-group pKa (delta pK 3.0; beta 1g (V/K) = -0.73, r = -0.93; beta 1g (V) = -0.25; r =
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