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C43609

4-Chloro-4′-fluorobutyrophenone

Name: 4-Chloro-4′-fluorobutyrophenone
Brand: ALDRICH

97%

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About This Item

Linear Formula:

FC₆H₄CO(CH₂)₃Cl

CAS Number:

3874-54-2

Molecular Weight:

200.64

NACRES:

NA.22

PubChem Substance ID:

24892687

UNSPSC Code:

12352100

EC Number:

223-395-3

MDL number:

MFCD00001007

Assay:

97%

Form:

liquid

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Properties

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.5255 (lit.)

density

1.22 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc(cc1)C(=O)CCCCl

InChI

1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

InChI key

HXAOUYGZEOZTJO-UHFFFAOYSA-N

Description

General description

Material darkens in storage with no loss in purity

pictograms

GHS07,GHS09

signalword

Warning

hcodes

H317,H411

pcodes

P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313

Hazard Classifications

Aquatic Chronic 2 - Skin Sens. 1B

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Eyeshields, Gloves

Regulatory Information

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Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.

Seth Y Ablordeppey et al.

Bioorganic & medicinal chemistry, 16(15), 7291-7301 (2008-07-04)

The synthesis and exploration of novel butyrophenones have led to the identification of a diazepane analogue of haloperidol, 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one (compound 13) with an interesting multireceptor binding profile. Compound 13 was evaluated for its binding affinities at DA subtype receptors, 5HT

Global Trade Item Number

SKU	GTIN
C43609-25G	04061831813395
C43609-100G	04061831835373