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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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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- Country
- France
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- Advantage
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- him@interchim.com
- Country
- France
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- Country
- France
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- interchim@interchim.com
- Country
- France
- ProdList
- 6302
- Advantage
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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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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