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

Americas 1 Belgium 3 Canada 2 China 252 Europe 4 France 4 Germany 7 India 63 Italy 2 Japan 6 Slovakia 1 Switzerland 3 The Netherlands 1 Ukraine 3 United Kingdom 16 United States 41 Global 409

Shanghai Hao Yun Chemical Science Co.,Ltd.

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Jinan Guoding Pharmaceutical Technology Co., Ltd.

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J & K SCIENTIFIC LTD.

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INTATRADE GmbH

Tel: +49 3493/605464
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Alfa Aesar

Tel: 400-6106006
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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:

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1-Chloro-4-(4-fluorophenyl)-4-oxobutane

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NSC 87082

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omega-Chloro-p-fluorobutyrophenone

p-Fluoro-4-chlorobutyrophenone

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4-Chloro-4'-fluorobutyrophenone