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Merck
CN

47160

1-Fluoro-3-nitrobenzene

purum, ≥97.0% (GC)

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About This Item

Linear Formula:
FC6H4NO2
CAS Number:
402-67-5
Molecular Weight:
141.10
EC Number:
206-953-0
UNSPSC Code:
12352100
PubChem Substance ID:
329757299
Beilstein/REAXYS Number:
1862210
MDL number:
MFCD00007196

Key Documents

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InChI key

WMASLRCNNKMRFP-UHFFFAOYSA-N

InChI

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

SMILES string

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

grade

purum

assay

≥97.0% (GC)

color

green-yellow

bp

205 °C (lit.)

mp

1.7 °C (lit.)

density

1.325 g/mL at 25 °C (lit.)

General description

1-Fluoro-3-nitrobenzene is a m-substituted nitrobenzene derivative. Its toxicity against Tetrahymena pyriformis has been assessed.

Application

1-Fluoro-3-nitrobenzene may be used in the preparation of N-[6-(3-nitrophenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide. It may also be used in the synthesis various of aryl–Au(I) compounds.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

flash_point_f

168.8 °F

flash_point_c

76 °C

ppe

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

Regulatory Information

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Design, synthesis, and evaluation of novel VEGFR2 kinase inhibitors: Discovery of [1, 2, 4] triazolo [1, 5-a] pyridine derivatives with slow dissociation kinetics.
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A silver-free system for the direct C-H auration of arenes and heteroarenes from gold chloride complexes.
Ahlsten N, et al.
Catalysis Science & Technology, 3(11), 2892-2897 (2013)
QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis using quantum chemical descriptors.
Bellifa K and Mekelleche SM.
Arabian Journal of Chemistry (2012)
Reduction of aromatic nitro compounds to aromatic amines by sodium trimethylsilanethiolate.
Hwu JR, et al.
The Journal of Organic Chemistry, 57(19), 5254-5255 (1992)
Constantinou M, et al.
Journal of Labelled Compounds & Radiopharmaceuticals, 44(S1), S889-S889 (2001)

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