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288365

3,4-Difluoronitrobenzene

Name: 3,4-Difluoronitrobenzene
Brand: ALDRICH

99%

Synonym(s):

1,2-Difluoro-4-nitrobenzene

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About This Item

Linear Formula:

F₂C₆H₃NO₂

CAS Number:

369-34-6

Molecular Weight:

159.09

NACRES:

NA.22

PubChem Substance ID:

24857335

UNSPSC Code:

12352100

EC Number:

206-718-2

MDL number:

MFCD00007198

Assay:

99%

Form:

liquid

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Properties

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.)

functional group

fluoro, nitro

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

177.8 °F - closed cup

flash_point_c

81 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Synthesis and structure-activity relationships of novel 5-(hydroxamic acid)methyl oxazolidinone derivatives as 5-lipoxygenase inhibitors.

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%

Synthesis of heterocyclic compounds via nucleophilic aroylation catalyzed by imidazolidenyl carbene.

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

A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers.

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

Global Trade Item Number

SKU	GTIN
288365-10G	04061837507182
288365-50G	04061826273517