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264253

2′,4′-Difluoroacetophenone

Name: 2′,4′-Difluoroacetophenone
Brand: ALDRICH

98%

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About This Item

Linear Formula:

F₂C₆H₃COCH₃

CAS Number:

364-83-0

Molecular Weight:

156.13

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24856000

EC Number:

206-667-6

Beilstein/REAXYS Number:

1940741

MDL number:

MFCD00151261

Assay:

98%

Form:

liquid

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Properties

assay

98%

form

liquid

refractive index

n20/D 1.488 (lit.)

bp

80-81 °C/25 mmHg (lit.)

density

1.234 g/mL at 25 °C (lit.)

functional group

fluoro, ketone

SMILES string

CC(=O)c1ccc(F)cc1F

InChI

1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

InChI key

QEWHNJPLPZOEKU-UHFFFAOYSA-N

Description

General description

Vibrational spectral analysis of 2′,4′-difluoroacetophenone has been carried out by FT-IR and FT-Raman spectroscopy.

Application

2′,4′-Difluoroacetophenone has been used as starting reagent in the synthesis of difluorinated chalcones.

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

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Structural study, NCA, FT-IR, FT-Raman spectral investigations, NBO analysis and thermodynamic properties of 2',4'-difluoroacetophenone by HF and DFT calculations.

K Parimala et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 110, 269-284 (2013-04-13)

In this work, the vibrational spectral analysis was carried out by FT-IR and FT-Raman spectroscopy in the regions of 4000-400 cm(-1) and 3500-100 cm(-1), respectively for 2',4'-difluoroacetophenone (DFAP). The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands

Global Trade Item Number

SKU	GTIN
264253-10G	04061838348210