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Sigma-Aldrich

3′,5′-Difluoroacetophenone

97%

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About This Item

Linear Formula:
F2C6H3COCH3
CAS Number:
123577-99-1
Molecular Weight:
156.13
MDL number:
MFCD00042489
UNSPSC Code:
12352100
PubChem Substance ID:
24878522
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

34-38 °C (lit.)

SMILES string

CC(=O)c1cc(F)cc(F)c1

InChI

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

InChI key

OXJLDNSPGPBDCP-UHFFFAOYSA-N

General description

3′,5′-Difluoroacetophenone, also known as 1-(3,5-difluorophenyl)ethanone, is a fluorinated acetophenone.

Application

3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:
  • (E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one
  • 1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand
  • (±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine
  • (E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one
  • 1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione

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

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

180.0 °F - closed cup

Flash Point(C)

82.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Yong-Jin Wu et al.
Bioorganic & medicinal chemistry letters, 13(10), 1725-1728 (2003-05-06)
The synthesis of four (+/-)-fluorinated 1-(3-morpholin-4-yl-phenyl)-ethylamines and an enantioselective approach to these amines through reductive amination are described.
Manjusha Verma et al.
Organic & biomolecular chemistry, 8(2), 363-370 (2010-01-13)
We have prepared and characterized a Cu(i)-responsive fluorescent probe, constructed using a large tetradentate, 16-membered thiazacrown ligand ([16]aneNS(3)) and 1,3,5-triaryl-substituted pyrazoline fluorophores. The fluorescence contrast ratio upon analyte binding, which is mainly governed by changes of the photoinduced electron transfer
(E)-1-(3, 5-Difluorophenyl)-3-(2, 4-dimethoxyphenyl) prop-2-en-1-one.
Huang T, et al.
Acta Crystallographica Section E, Structure Reports Online, 66(10), o2518-o2518 (2010)
1-(3, 5-Difluorophenyl)-4, 4, 4-trifluorobutane-1, 3-dione.
Manoj Kumar KE, et al.
Acta Crystallographica Section E, Structure Reports Online, 69(11), o1705-o1705 (2013)

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