ChemicalBook > CAS DataBase List > 4-Chloro-4'-fluorobutyrophenone

4-Chloro-4'-fluorobutyrophenone

Product Name
4-Chloro-4'-fluorobutyrophenone
CAS No.
3874-54-2
Chemical Name
4-Chloro-4'-fluorobutyrophenone
Synonyms
4-CHLORO-4-FLUOROBUTYROPHENONE;NSC 87082;LUMAT-009;JACS-3874-54-2;AKOS BBS-00006481;uorobutyrophenone;TIMTEC-BB SBB003536;4-Chloro-4'-fluorobu;Haloperidol Impurity 1;Haloperidol Impurity 21
CBNumber
CB3118281
Molecular Formula
C10H10ClFO
Formula Weight
200.64
MOL File
3874-54-2.mol
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4-Chloro-4'-fluorobutyrophenone Property

Melting point:
5-6 °C
Boiling point:
130-132 °C (0.97513 mmHg)
Density 
1.22 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.5255(lit.)
Flash point:
>230 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form 
Oil
color 
Slightly yellow-greenish clear
PH
4.05 at 23.1℃ and 10g/L
Water Solubility 
0.38 g/L (20 ºC)
BRN 
608741
InChIKey
HXAOUYGZEOZTJO-UHFFFAOYSA-N
LogP
2.84 at 30℃
CAS DataBase Reference
3874-54-2(CAS DataBase Reference)
NIST Chemistry Reference
1-Butanone, 4-chloro-1-(4-fluorophenyl)-(3874-54-2)
EPA Substance Registry System
1-Butanone, 4-chloro-1-(4-fluorophenyl)- (3874-54-2)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
22-36/37/38-20/21/22
Safety Statements 
24/25-36-26
WGK Germany 
3
Hazard Note 
Irritant
TSCA 
Yes
HS Code 
2914790090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P330Rinse mouth.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
C43609
Product name
4-Chloro-4′-fluorobutyrophenone
Purity
97%
Packaging
25g
Price
$54.3
Updated
2024/03/01
Sigma-Aldrich
Product number
C43609
Product name
4-Chloro-4′-fluorobutyrophenone
Purity
97%
Packaging
100g
Price
$138
Updated
2023/06/20
TCI Chemical
Product number
C1294
Product name
4-Chloro-4'-fluorobutyrophenone
Purity
>97.0%(GC)
Packaging
25g
Price
$44
Updated
2024/03/01
Alfa Aesar
Product number
A11121
Product name
4-Chloro-4'-fluorobutyrophenone, 96%
Packaging
25g
Price
$22.9
Updated
2021/12/16
Alfa Aesar
Product number
A11121
Product name
4-Chloro-4'-fluorobutyrophenone, 96%
Packaging
100g
Price
$59
Updated
2021/12/16
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4-Chloro-4'-fluorobutyrophenone Chemical Properties,Usage,Production

Chemical Properties

slightly yellow-greenish clear oil

Uses

4-Chloro-4''-fluorobutyrophenone (cas# 3874-54-2) is a compound useful in organic synthesis.

Uses

4-Chloro-4‘-fluorobutyrophenone is a pharmaceutical intermediate compound suitable for the production of antipsychotics and active pharmaceutical ingredients (APIs) for the treatment of depression.4-Chloro-4’-fluorobutyrophenone can be used as a synthesis of trifluprednis, azaperone, melperone, Melperone, Timiperone, Bromoperidol, Haloperidol, Benzoperidol, Droperidol, Fluanisone and other APIs as pharmaceutical intermediates.

Synthesis

The purified alkyne (5 mmol) was treated with a solution of HNTf2 (60-200 mol %) in 1,4-dioxane in apreheated oil bath at 100°C, under magnetic stirring, for 18-52 h, and the corresponding ketone was purified by column chromatography after cooling 4-Chloro-4'-fluorobutyrophenone. The reaction crude was purified by column chromatography using 20% AcOEt in n-hexane as an eluent. Isolated yield: 850 mg (85%). R f (20% AcOEt in n-hexane): 0.66. GC-MS (m/ z, M+? 200), major peaks found: 200 (1%), 164 (1%), 138 (43%), 123 (100%), 107 (10%). 1H NMR (δ, ppm; J, Hz): 8.03-7.97 (2C-H arom, mult), 7.17-7.09 (2C-H arom, mult), 3.68 (CH2, t, J = 6.2), 3.15 (CH2, t, J = 7.0), 2.22 (CH2, tt, J = 7.0, 6.2). 13C NMR (δ, ppm; J, Hz): 197.3 (C=O), 166.1 (C, d, J 1 C-F = 254.7), 133.2 (C, d, J 4 C-F = 4.3), 130.6 (2CH, d, J 3 C-F = 9.3), 115.9 (2CH, d, J 2 C-F = 22.2), 44.6 (CH2), 35.2 (CH2), 26.7 (CH2).

4-Chloro-4'-fluorobutyrophenone Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Chloro-4'-fluorobutyrophenone Suppliers

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View Lastest Price from 4-Chloro-4'-fluorobutyrophenone manufacturers

Dorne Chemical Technology co. LTD
Product
4-Chloro-4'-fluorobutyrophenone 3874-54-2
Price
US $10.00/ASSAYS
Min. Order
1ASSAYS
Purity
99%
Supply Ability
10 ton
Release date
2024-03-26
Shaanxi Dideu Medichem Co. Ltd
Product
4-Chloro-4'-fluorobutyrophenone 3874-54-2
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20T
Release date
2024-08-14
Shandong Hanjiang Chemical Co., Ltd
Product
4-Chloro-4'-fluorobutyrophenone 3874-54-2
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10T
Release date
2024-01-22

3874-54-2, 4-Chloro-4'-fluorobutyrophenoneRelated Search:

4-Fluorobenzaldehyde 2-Butanone oxime Epichlorohydrin 4-Methyl-2-pentanone Transfluthrin Florfenicol N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium HALOPERIDOL RELATED COMPOUND A (15 MG) (4,4'-BIS[(4-P-CHLOROPHENYL)-4-HYDROXY-PIPERIDINO]-BU-TYROPHENONE) 3-CHLORO-4'-FLUOROPROPIOPHENONE 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(3-ethyl-4-fluorophenyl)-1-butanone Haloperidol EP Impurity E GUTXTARXLVFHDK-GIVHGBEGSA-N 4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one Dechloro Haloperidol (Haloperidol Impurity B) Cyclopropyl 4-fluorophenyl ketone Haloperidol EP Impurity F 4-CHLORO-1-(2-FLUOROPHENYL)-1-OXOBUTANE 1-(4-FLUOROPHENYL)-4-HYDROXYBUTAN-1-ONE

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  • 1-(4-Fluorophenyl)-4-chloro-1-butanone
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  • ω-Chloro-4'-fluorobutyrophenone
  • Chloro-4'-fluorobutyrophe
  • 4-Chloro-4'-fluorobu
  • 4-chloro-4-fluorophenyl ketone
  • 1-Chloro-4-(4-fluorophenyl)-4-oxobutane
  • 3-(4-Fluorophenylcarbonyl)-1-chloropropane
  • NSC 87082
  • 4-Chloro-4'-fluoro-butyrophenone (OR)
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  • 4-CHLORO-4-FLUOROBUTYROPHENONE
  • 3-CHLOROPROPYL 4-FLUOROPHENYL KETONE
  • LUMAT-009
  • TIMTEC-BB SBB003536
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  • 4-(p-Fluorophenyl)-4-oxobutyl chloride
  • 4-chloro-1-(4-fluorophenyl)-1-butanon
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  • p-Fluoro-gamma-chlorobutyrophenone
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  • Haloperidol Impurity 1
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  • High Quality 4-Chloro-4'-fluorobutyrophenone
  • 99% Purity 4-Chloro-4'-fluorobutyrophenone
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