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3,4-Difluoronitrobenzene

99%

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Synonym(s):
1,2-Difluoro-4-nitrobenzene
Linear Formula:
F2C6H3NO2
CAS Number:
369-34-6
Molecular Weight:
159.09
EC Number:
206-718-2
MDL number:
MFCD00007198
PubChem Substance ID:
24857335
NACRES:
NA.22

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.509 (lit.)

bp

76-80 °C/11 mmHg (lit.)

density

1.437 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(F)c(F)c1

InChI

1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChI key

RUBQQRMAWLSCCJ-UHFFFAOYSA-N

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General description

The experimental and computational thermochemical study of 3,4-difluoronitrobenzene was studied.

Application

3,4-Difluoronitrobenzene was used in the preparation of xanthones and acridones.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315 - H319 - H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

177.8 °F - closed cup

Flash Point(C)

81 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Oludotun A Phillips et al.
Journal of enzyme inhibition and medicinal chemistry, 35(1), 1471-1482 (2020-07-09)
Oxazolidinone hydroxamic acid derivatives were synthesised and evaluated for inhibitory activity against leukotriene (LT) biosynthesis in three in vitro cell-based test systems and on direct inhibition of recombinant human 5-lipoxygenase (5-LO). Thirteen of the 19 compounds synthesised were considered active ((50%
Yumiko Suzuki et al.
Chemical & pharmaceutical bulletin, 54(12), 1653-1658 (2006-12-02)
Xanthones and acridones were synthesized from 3,4-difluoronitrobenzene and 2-fluorobenzaldehydes in two or three steps. The key step was nucleophilic aroylation catalyzed by imidazolidenyl carbene. The nucleophilic aroylation of 3,4-difluoronitrobenzene afforded 2,2'-difluoro-4-nitrobenzophenones. The cyclization of the difluorobenzophenones with O-nucleophile and N-nucleophile
Manuel A V Ribeiro da Silva et al.
The journal of physical chemistry. B, 114(40), 12914-12925 (2010-09-24)
This work reports the experimental and computational thermochemical study performed on three difluorinated nitrobenzene isomers: 2,4-difluoronitrobenzene (2,4-DFNB), 2,5-difluoronitrobenzene (2,5-DFNB), and 3,4-difluoronitrobenzene (3,4-DFNB). The standard (p° = 0.1 MPa) molar enthalpies of formation in the liquid phase of these compounds were

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