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306010

3,5-Difluoronitrobenzene

Name: 3,5-Difluoronitrobenzene
Brand: ALDRICH

99%

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About This Item

Linear Formula:

F₂C₆H₃NO₂

CAS Number:

2265-94-3

Molecular Weight:

159.09

NACRES:

NA.22

PubChem Substance ID:

24858470

UNSPSC Code:

12352100

EC Number:

218-867-0

MDL number:

MFCD00012142

Assay:

99%

Form:

liquid

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Properties

assay

99%

form

liquid

refractive index

n20/D 1.499 (lit.)

bp

176-177 °C (lit.)

mp

17 °C (lit.)

density

1.407 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(F)cc(F)c1

InChI

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

InChI key

AUQBBDWDLJSKMI-UHFFFAOYSA-N

Description

General description

Molecular structure of 3,5-difluoronitrobenzene was studied by gas-phase electron diffraction, MP2 ab initio and by B3LYP density functional calculations.

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

165.2 °F - closed cup

flash_point_c

74 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.

Olga V Dorofeeva et al.

The journal of physical chemistry. A, 112(22), 5002-5009 (2008-05-09)

3,5-Difluoronitrobenzene (3,5-DFNB) and 2,6-difluoronitrobenzene (2,6-DFNB) have been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations. Refinements of r h1 and r e static and r h1 dynamic GED models were carried out for

Global Trade Item Number

SKU	GTIN
306010-5G	04061836819156