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288365

Sigma-Aldrich

3,4-Difluoronitrobenzene

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
EC Number:
206-718-2
MDL number:
MFCD00007198
UNSPSC Code:
12352100
PubChem Substance ID:
24857335
NACRES:
NA.22

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

288365-50G:
288365-VAR:
288365-BULK:
288365-10G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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