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196622

2,5-Difluoronitrobenzene

Name: 2,5-Difluoronitrobenzene
Brand: ALDRICH

97%

Synonym(s):

1,4-Difluoro-2-nitrobenzene

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About This Item

Linear Formula:

F₂C₆H₃NO₂

CAS Number:

364-74-9

Molecular Weight:

159.09

NACRES:

NA.22

PubChem Substance ID:

24851776

UNSPSC Code:

12352100

EC Number:

206-663-4

MDL number:

MFCD00007054

Assay:

97%

Form:

liquid

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Properties

Quality Level

200

assay

97%

form

liquid

refractive index

n20/D 1.509 (lit.)

bp

206.5 °C (lit.)

mp

−11.7 °C (lit.)

density

1.467 g/mL at 25 °C (lit.)

functional group

fluoro, nitro

SMILES string

[O-][N+](=O)c1cc(F)ccc1F

InChI

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

InChI key

XNJAYQHWXYJBBD-UHFFFAOYSA-N

Description

Application

2,5-Difluoronitrobenzene was used in the synthesis of :

N-alkylated 2-arylaminobenzimidazoles
quinoxalinones
N-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

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

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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In vitro metabolism of 5-fluoro-2-glutathionyl-nitrobenzene by kidney proximal tubular cells studied by 19F-NMR.

H E Haenen et al.

Chemico-biological interactions, 98(2), 97-112 (1995-11-17)

Proximal tubular biotransformation of the glutathionyl (GSH) conjugate derived from 2,5-difluoronitrobenzene (5-fluoro-2-glutathionyl-nitrobenzene) was studied by means of 19F-NMR. This method allows a direct and specific detection of the fluorinated metabolites formed, at a detection limit of 1 microM for an

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

Ring-opening reactions of N-aryl-, 1, 2, 3, 4-tetrahydroisoquinoline derivatives.

Andrew HK and Stanforth SP.

Tetrahedron, 48(4), 743-750 (1992)

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Global Trade Item Number

SKU	GTIN
196622-25G	04061838762153