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261807

Sigma-Aldrich

2,4,6-Trifluoronitrobenzene

98%

Synonym(s):

1,3,5-Trifluoro-2-nitrobenzene

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About This Item

Linear Formula:
F3C6H2NO2
CAS Number:
315-14-0
Molecular Weight:
177.08
EC Number:
206-248-8
MDL number:
MFCD00014687
UNSPSC Code:
12352100
PubChem Substance ID:
24855835
NACRES:
NA.22

Quality Level

100

assay

98%

refractive index

n20/D 1.477 (lit.)

bp

182-185 °C (lit.)

mp

3.5 °C (lit.)

density

1.514 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1c(F)cc(F)cc1F

InChI

1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

InChI key

PWRFDGYYJWQIAB-UHFFFAOYSA-N

Related Categories

Application

2,4,6-Trifluoronitrobenzene has been used in preparation of 4-methoxy-2,6-difluoroanilines, versatile building blocks in medicinal chemistry.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

closed cup

flash_point_c

closed cup

ppe

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

Certificates of Analysis (COA)

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A convenient synthesis of 4-alkoxy-and 4-hydroxy-2, 6-difluoroanilines.
Alonso-Alija C, et al.
Tetrahedron Letters, 45(1), 95-98 (2004)

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