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C43609

Sigma-Aldrich

4-Chloro-4′-fluorobutyrophenone

97%

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About This Item

Linear Formula:
FC6H4CO(CH2)3Cl
CAS Number:
3874-54-2
Molecular Weight:
200.64
EC Number:
223-395-3
MDL number:
MFCD00001007
UNSPSC Code:
12352100
PubChem Substance ID:
24892687
NACRES:
NA.22

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

Related Categories

Physical properties

Material darkens in storage with no loss in purity

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H317,H411

Hazard Classifications

Aquatic Chronic 2 - Skin Sens. 1B

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK4423
STBK2739
STBK1687
STBJ8190
STBJ8191

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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

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